2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide

C23H24ClN3O2S — CID 16538336

IUPAC2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C23H24ClN3O2S/c1-26(16-9-3-2-4-10-16)21(28)15-30-23-25-19-13-7-5-11-17(19)22(29)27(23)20-14-8-6-12-18(20)24/h5-8,11-14,16H,2-4,9-10,15H2,1H3
InChIKeyNIDPEFGCXADRMH-UHFFFAOYSA-N
MW441.98 g/mol
LogP4.92
Rot. Bonds5

About 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide

2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide (PubChem CID 16538336) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide
PubChem CID16538336
Molecular FormulaC23H24ClN3O2S
Molecular Weight441.98 g/mol
Exact Mass441.13
IUPAC Name2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C23H24ClN3O2S/c1-26(16-9-3-2-4-10-16)21(28)15-30-23-25-19-13-7-5-11-17(19)22(29)27(23)20-14-8-6-12-18(20)24/h5-8,11-14,16H,2-4,9-10,15H2,1H3
InChIKeyNIDPEFGCXADRMH-UHFFFAOYSA-N
XLogP4.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 2216145
N-cyclohexyl-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515514
3-(3-chloro-2-methylphenyl)-2-(cyclohexylmethylsulfanyl)quinazolin-4-one
CID 7853586
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 4288097
3-(2-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 2595792
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 16538297
N-[(2S)-butan-2-yl]-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696305
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4838569
N-(tert-butylcarbamoyl)-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3896518
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 16538331
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 8980002

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide (CID 16538336) is 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide is CN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide?
The InChIKey is NIDPEFGCXADRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c1-26(16-9-3-2-4-10-16)21(28)15-30-23-25-19-13-7-5-11-17(19)22(29)27(23)20-14-8-6-12-18(20)24/h5-8,11-14,16H,2-4,9-10,15H2,1H3.
What are the key properties of 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide?
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide has a molecular weight of 441.98 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 16538336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).