3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

C22H22ClN5O2 — CID 123204584

IUPAC3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCC(C)COc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2c(Cl)cccc12
InChIInChI=1S/C22H22ClN5O2/c1-13(2)12-30-21-15-4-3-5-16(23)20(15)25-19(26-21)11-27-18-10-24-9-8-17(18)28(22(27)29)14-6-7-14/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3
InChIKeyJCQSRTRACPRGPR-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.21
Rot. Bonds6

About 3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one

3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (PubChem CID 123204584) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
PubChem CID123204584
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
SMILESCC(C)COc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2c(Cl)cccc12
InChIInChI=1S/C22H22ClN5O2/c1-13(2)12-30-21-15-4-3-5-16(23)20(15)25-19(26-21)11-27-18-10-24-9-8-17(18)28(22(27)29)14-6-7-14/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3
InChIKeyJCQSRTRACPRGPR-UHFFFAOYSA-N
XLogP4.21
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]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

Related Compounds

N-(2-chloro-6-methylphenyl)-12-methoxy-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 11233080
6-Chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-4-(oxan-4-yloxy)quinazoline
CID 165414881
6-Chloro-4-methoxy-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazoline
CID 165414920
N-(2-(3-chlorobenzyloxy)-6-methylpyridin-4-yl)-N-methylpyrimidin-5-amine
CID 44410038
1-(3-Chloro-benzyl)-2-(2-cyclopropylmethoxy-pyridin-3-yl)-5,6-difluoro-1H-benzoimidazole
CID 51039471
2-[2-[8-Chloro-5-fluoro-2-(trifluoromethyl)quinolin-4-yl]oxyethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 68379861
2-[2-[8-Chloro-2-(trifluoromethyl)quinolin-4-yl]oxyethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 68380238
1-[3-[6-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one
CID 90094511
3-[[7-Bromo-4-(3-fluoropropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058625
3-[[6-Bromo-4-(3-fluoropropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 130230404
1-Cyclopropyl-3-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 130230419
N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide
CID 144839481

Frequently Asked Questions

What is the IUPAC name of 3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one (CID 123204584) is 3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is CC(C)COc1nc(Cn2c(=O)n(C3CC3)c3ccncc32)nc2c(Cl)cccc12.
What is the InChIKey of 3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
The InChIKey is JCQSRTRACPRGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-13(2)12-30-21-15-4-3-5-16(23)20(15)25-19(26-21)11-27-18-10-24-9-8-17(18)28(22(27)29)14-6-7-14/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3.
What are the key properties of 3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one?
3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one has a molecular weight of 423.90 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-chloro-4-(2-methylpropoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 123204584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).