2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen

C23H29ClN6O3 — CID 158559639

IUPAC2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen
SMILESCCNC(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncc(Cl)cc23)nc2cc(OC)c(OC)cc12.[H][H].[H][H]
InChIInChI=1S/C23H25ClN6O3.2H2/c1-6-25-22(31)23(2,3)30-21-14-8-17(32-4)18(33-5)9-16(14)28-20(29-21)15-11-27-19-13(15)7-12(24)10-26-19;;/h7-11H,6H2,1-5H3,(H,25,31)(H,26,27)(H,28,29,30);2*1H
InChIKeyHQSKVFBQUVDSKT-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.66
Rot. Bonds7

About 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen

2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen (PubChem CID 158559639) has the molecular formula C23H29ClN6O3 and a molecular weight of 472.98 g/mol. Its IUPAC name is 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound Name2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen
PubChem CID158559639
Molecular FormulaC23H29ClN6O3
Molecular Weight472.98 g/mol
Exact Mass472.20
IUPAC Name2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen
SMILESCCNC(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncc(Cl)cc23)nc2cc(OC)c(OC)cc12.[H][H].[H][H]
InChIInChI=1S/C23H25ClN6O3.2H2/c1-6-25-22(31)23(2,3)30-21-14-8-17(32-4)18(33-5)9-16(14)28-20(29-21)15-11-27-19-13(15)7-12(24)10-26-19;;/h7-11H,6H2,1-5H3,(H,25,31)(H,26,27)(H,28,29,30);2*1H
InChIKeyHQSKVFBQUVDSKT-UHFFFAOYSA-N
XLogP4.66
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen with MolForge

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Related Compounds

2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide
CID 59422112
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylpropanamide
CID 59422282
2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen
CID 159779516
(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylbutanamide;molecular hydrogen
CID 159430178
(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen
CID 159276027
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 67478632
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide
CID 118000512
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propan-2-ylpropanamide
CID 59422105
(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 24886127
(2R)-2-[[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59422180
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-methylacetamide;molecular hydrogen
CID 161157588
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-ethylpyrimidin-4-amine
CID 71267221

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen?
The IUPAC name of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen (CID 158559639) is 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen is CCNC(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncc(Cl)cc23)nc2cc(OC)c(OC)cc12.[H][H].[H][H].
What is the InChIKey of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen?
The InChIKey is HQSKVFBQUVDSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O3.2H2/c1-6-25-22(31)23(2,3)30-21-14-8-17(32-4)18(33-5)9-16(14)28-20(29-21)15-11-27-19-13(15)7-12(24)10-26-19;;/h7-11H,6H2,1-5H3,(H,25,31)(H,26,27)(H,28,29,30);2*1H.
What are the key properties of 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen?
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen has a molecular weight of 472.98 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6,7-dimethoxyquinazolin-4-yl]amino]-N-ethyl-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 158559639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).