2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide (Q27163214)

CHEMBL2138817 (English)

9 October 2016

chemical formula

C₂₇H₂₇N₅O₃

1 reference

CHEMBL2138817 (English)

9 October 2016

canonical SMILES

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C=CCNC(=O)COC)C

1 reference

CHEMBL2138817 (English)

InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)

9 October 2016

Identifiers

InChI

1 reference

CHEMBL2138817 (English)

9 October 2016

2 references

CHEMBL2138817 (English)

CAS (formerly Chemical Abstracts Service)

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

537705-08-1

1 reference

stated in

25 January 2022

1 reference

2-Methoxy-N-{3-[4-({3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl}amino)-6-quinazolinyl]-2-propen-1-yl}acetamide (English)

9 October 2016

2 references

CHEMBL2138817 (English)

9 October 2016

ChEBI ID

91331

mapping relation type

2 references

2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)

1 reference

CHEMBL2138817 (English)

9 October 2016

1 reference

1 reference

Human Metabolome Database ID

HMDB0249936

2 references

based on heuristic

inferred from InChIKey