3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one

C23H17ClN4OS — CID 18206190

IUPAC3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one
SMILESCc1ccc2nc(CSc3nc4ccccc4c(=O)n3-c3cccc(Cl)c3)cn2c1
InChIInChI=1S/C23H17ClN4OS/c1-15-9-10-21-25-17(13-27(21)12-15)14-30-23-26-20-8-3-2-7-19(20)22(29)28(23)18-6-4-5-16(24)11-18/h2-13H,14H2,1H3
InChIKeyBDXNMNBNHXSOOB-UHFFFAOYSA-N
MW432.94 g/mol
LogP5.29
Rot. Bonds4

About 3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one

3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 18206190) has the molecular formula C23H17ClN4OS and a molecular weight of 432.94 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one
PubChem CID18206190
Molecular FormulaC23H17ClN4OS
Molecular Weight432.94 g/mol
Exact Mass432.08
IUPAC Name3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one
SMILESCc1ccc2nc(CSc3nc4ccccc4c(=O)n3-c3cccc(Cl)c3)cn2c1
InChIInChI=1S/C23H17ClN4OS/c1-15-9-10-21-25-17(13-27(21)12-15)14-30-23-26-20-8-3-2-7-19(20)22(29)28(23)18-6-4-5-16(24)11-18/h2-13H,14H2,1H3
InChIKeyBDXNMNBNHXSOOB-UHFFFAOYSA-N
XLogP5.29
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.94
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-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

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 5028946
2-[(3-chlorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 2201201
3-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 7191416
3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one
CID 55324754
2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one
CID 27805926
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 2994802
2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 46805740
3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 112779520
2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 14575169
4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 26970971
2-[(3,5-dimethylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 18225738
2-benzylsulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 2385702

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one (CID 18206190) is 3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one is Cc1ccc2nc(CSc3nc4ccccc4c(=O)n3-c3cccc(Cl)c3)cn2c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one?
The InChIKey is BDXNMNBNHXSOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4OS/c1-15-9-10-21-25-17(13-27(21)12-15)14-30-23-26-20-8-3-2-7-19(20)22(29)28(23)18-6-4-5-16(24)11-18/h2-13H,14H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one?
3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 432.94 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 18206190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).