2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide

C20H18ClN3O2S — CID 8527822

IUPAC2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide
SMILESCc1cccc(-n2c(SCC(=O)NC3CC3)nc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C20H18ClN3O2S/c1-12-3-2-4-15(9-12)24-19(26)16-8-5-13(21)10-17(16)23-20(24)27-11-18(25)22-14-6-7-14/h2-5,8-10,14H,6-7,11H2,1H3,(H,22,25)
InChIKeyKZHLDFWDYJMEOF-UHFFFAOYSA-N
MW399.90 g/mol
LogP3.72
Rot. Bonds5

About 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide

2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide (PubChem CID 8527822) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide
PubChem CID8527822
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide
SMILESCc1cccc(-n2c(SCC(=O)NC3CC3)nc3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C20H18ClN3O2S/c1-12-3-2-4-15(9-12)24-19(26)16-8-5-13(21)10-17(16)23-20(24)27-11-18(25)22-14-6-7-14/h2-5,8-10,14H,6-7,11H2,1H3,(H,22,25)
InChIKeyKZHLDFWDYJMEOF-UHFFFAOYSA-N
XLogP3.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide 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-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 1328524
7-chloro-3-(3-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 112787006
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide
CID 2595053
7-chloro-3-(3-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 8527823
2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 112787008
7-chloro-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-(3-methylphenyl)quinazolin-4-one
CID 16544163
2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 29244888
N-cyclopropyl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5228195
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 3471205
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 40959475
N-(4-methylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8871437
(2R)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7907993

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide (CID 8527822) is 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide is Cc1cccc(-n2c(SCC(=O)NC3CC3)nc3cc(Cl)ccc3c2=O)c1.
What is the InChIKey of 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide?
The InChIKey is KZHLDFWDYJMEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-12-3-2-4-15(9-12)24-19(26)16-8-5-13(21)10-17(16)23-20(24)27-11-18(25)22-14-6-7-14/h2-5,8-10,14H,6-7,11H2,1H3,(H,22,25).
What are the key properties of 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide?
2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide has a molecular weight of 399.90 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 8527822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).