1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one

C23H22ClN5O3 — CID 118058532

IUPAC1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3ccc(Cl)cc3n2)c2cccnc2n1C1CC1
InChIInChI=1S/C23H22ClN5O3/c24-15-3-6-17-18(10-15)26-20(27-22(17)32-13-14-7-9-31-12-14)11-28-19-2-1-8-25-21(19)29(23(28)30)16-4-5-16/h1-3,6,8,10,14,16H,4-5,7,9,11-13H2
InChIKeyNTMVQPSMXCFGOW-UHFFFAOYSA-N
MW451.91 g/mol
LogP3.59
Rot. Bonds6

About 1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one

1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one (PubChem CID 118058532) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is 1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one
PubChem CID118058532
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC Name1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(Cc2nc(OCC3CCOC3)c3ccc(Cl)cc3n2)c2cccnc2n1C1CC1
InChIInChI=1S/C23H22ClN5O3/c24-15-3-6-17-18(10-15)26-20(27-22(17)32-13-14-7-9-31-12-14)11-28-19-2-1-8-25-21(19)29(23(28)30)16-4-5-16/h1-3,6,8,10,14,16H,4-5,7,9,11-13H2
InChIKeyNTMVQPSMXCFGOW-UHFFFAOYSA-N
XLogP3.59
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one (CID 118058532) is 1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one is O=c1n(Cc2nc(OCC3CCOC3)c3ccc(Cl)cc3n2)c2cccnc2n1C1CC1.
What is the InChIKey of 1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one?
The InChIKey is NTMVQPSMXCFGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c24-15-3-6-17-18(10-15)26-20(27-22(17)32-13-14-7-9-31-12-14)11-28-19-2-1-8-25-21(19)29(23(28)30)16-4-5-16/h1-3,6,8,10,14,16H,4-5,7,9,11-13H2.
What are the key properties of 1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one?
1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one has a molecular weight of 451.91 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 118058532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).