4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide

C22H16ClN3O2S — CID 26970971

IUPAC4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H16ClN3O2S/c23-16-4-3-5-17(12-16)26-21(28)18-6-1-2-7-19(18)25-22(26)29-13-14-8-10-15(11-9-14)20(24)27/h1-12H,13H2,(H2,24,27)
InChIKeyKNVPBORYIKMHBF-UHFFFAOYSA-N
MW421.91 g/mol
LogP4.43
Rot. Bonds5

About 4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide

4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide (PubChem CID 26970971) has the molecular formula C22H16ClN3O2S and a molecular weight of 421.91 g/mol. Its IUPAC name is 4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
PubChem CID26970971
Molecular FormulaC22H16ClN3O2S
Molecular Weight421.91 g/mol
Exact Mass421.07
IUPAC Name4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H16ClN3O2S/c23-16-4-3-5-17(12-16)26-21(28)18-6-1-2-7-19(18)25-22(26)29-13-14-8-10-15(11-9-14)20(24)27/h1-12H,13H2,(H2,24,27)
InChIKeyKNVPBORYIKMHBF-UHFFFAOYSA-N
XLogP4.43
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 2201201
4-[[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27356270
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 2994802
4-[[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27592797
3-(3-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 16500225
4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 24526797
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
CID 16500228
4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
CID 27350175
3-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]quinazolin-4-one
CID 3786495
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-(3-chlorophenyl)quinazolin-4-one
CID 3532320
2-benzylsulfanyl-3-(3,4-difluorophenyl)quinazolin-4-one
CID 23878433
N-(2-chlorophenyl)-2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16500260

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The IUPAC name of 4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide (CID 26970971) is 4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The canonical SMILES for 4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide is NC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The InChIKey is KNVPBORYIKMHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2S/c23-16-4-3-5-17(12-16)26-21(28)18-6-1-2-7-19(18)25-22(26)29-13-14-8-10-15(11-9-14)20(24)27/h1-12H,13H2,(H2,24,27).
What are the key properties of 4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide has a molecular weight of 421.91 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 26970971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).