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

C22H20ClN5O3 — CID 118058522

IUPAC1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(Cc2nc(OC3CCOC3)c3ccc(Cl)cc3n2)c2cccnc2n1C1CC1
InChIInChI=1S/C22H20ClN5O3/c23-13-3-6-16-17(10-13)25-19(26-21(16)31-15-7-9-30-12-15)11-27-18-2-1-8-24-20(18)28(22(27)29)14-4-5-14/h1-3,6,8,10,14-15H,4-5,7,9,11-12H2
InChIKeyZZULNMOVHKLVSN-UHFFFAOYSA-N
MW437.89 g/mol
LogP3.35
Rot. Bonds5

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

1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one (PubChem CID 118058522) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is 1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one
PubChem CID118058522
Molecular FormulaC22H20ClN5O3
Molecular Weight437.89 g/mol
Exact Mass437.13
IUPAC Name1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(Cc2nc(OC3CCOC3)c3ccc(Cl)cc3n2)c2cccnc2n1C1CC1
InChIInChI=1S/C22H20ClN5O3/c23-13-3-6-16-17(10-13)25-19(26-21(16)31-15-7-9-30-12-15)11-27-18-2-1-8-24-20(18)28(22(27)29)14-4-5-14/h1-3,6,8,10,14-15H,4-5,7,9,11-12H2
InChIKeyZZULNMOVHKLVSN-UHFFFAOYSA-N
XLogP3.35
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058563
3-[[7-chloro-4-(3-methylsulfonylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;ethane;propane
CID 144839567
3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058564
3-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058548
3-[[7-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-7-carbonitrile
CID 161148056
3-N-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyridine-2,3-diamine
CID 123552648
3-[[7-bromo-4-(oxolan-2-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 130230483
N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159382
7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline
CID 118058554
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde
CID 58710621
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-2-one
CID 118131016
4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole
CID 166247483

Frequently Asked Questions

What is the IUPAC name of 1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one (CID 118058522) is 1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one is O=c1n(Cc2nc(OC3CCOC3)c3ccc(Cl)cc3n2)c2cccnc2n1C1CC1.
What is the InChIKey of 1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one?
The InChIKey is ZZULNMOVHKLVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3/c23-13-3-6-16-17(10-13)25-19(26-21(16)31-15-7-9-30-12-15)11-27-18-2-1-8-24-20(18)28(22(27)29)14-4-5-14/h1-3,6,8,10,14-15H,4-5,7,9,11-12H2.
What are the key properties of 1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one?
1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one has a molecular weight of 437.89 g/mol, XLogP of 3.35, 5 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-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 118058522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).