2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen

C24H34N6O3 — CID 159779516

IUPAC2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen
SMILESCCCNC(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncccc23)nc2cc(OC)c(OC)cc12.[H][H].[H][H].[H][H]
InChIInChI=1S/C24H28N6O3.3H2/c1-6-9-26-23(31)24(2,3)30-22-15-11-18(32-4)19(33-5)12-17(15)28-21(29-22)16-13-27-20-14(16)8-7-10-25-20;;;/h7-8,10-13H,6,9H2,1-5H3,(H,25,27)(H,26,31)(H,28,29,30);3*1H
InChIKeyNHEGSXNSKFJBFO-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.64
Rot. Bonds8

About 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen

2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen (PubChem CID 159779516) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen.

Molecular Properties

Compound Name2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen
PubChem CID159779516
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen
SMILESCCCNC(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncccc23)nc2cc(OC)c(OC)cc12.[H][H].[H][H].[H][H]
InChIInChI=1S/C24H28N6O3.3H2/c1-6-9-26-23(31)24(2,3)30-22-15-11-18(32-4)19(33-5)12-17(15)28-21(29-22)16-13-27-20-14(16)8-7-10-25-20;;;/h7-8,10-13H,6,9H2,1-5H3,(H,25,27)(H,26,31)(H,28,29,30);3*1H
InChIKeyNHEGSXNSKFJBFO-UHFFFAOYSA-N
XLogP4.64
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-ethyl-2-methylpropanamide;molecular hydrogen
CID 158559639
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
(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
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087195
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide
CID 158221112
6,7-dimethoxy-2-phenyl-N-(2-pyridin-2-ylethyl)quinazolin-4-amine
CID 117093998
(2R)-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-(trideuteriomethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 171382214
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632631
2-(3,4-dimethoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid
CID 69375111

Frequently Asked Questions

What is the IUPAC name of 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen?
The IUPAC name of 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) is 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen.
What is the SMILES notation for 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen?
The canonical SMILES for 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen is CCCNC(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncccc23)nc2cc(OC)c(OC)cc12.[H][H].[H][H].[H][H].
What is the InChIKey of 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen?
The InChIKey is NHEGSXNSKFJBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3.3H2/c1-6-9-26-23(31)24(2,3)30-22-15-11-18(32-4)19(33-5)12-17(15)28-21(29-22)16-13-27-20-14(16)8-7-10-25-20;;;/h7-8,10-13H,6,9H2,1-5H3,(H,25,27)(H,26,31)(H,28,29,30);3*1H.
What are the key properties of 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen?
2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen has a molecular weight of 454.58 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;molecular hydrogen is sourced from PubChem (CID 159779516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).