7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one

C17H12Cl2N2O2S — CID 3500107

IUPAC7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
SMILESCC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2S/c1-10(22)9-24-17-20-15-8-12(19)4-7-14(15)16(23)21(17)13-5-2-11(18)3-6-13/h2-8H,9H2,1H3
InChIKeyJYXIJSDAAVZHDL-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.37
Rot. Bonds4

About 7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one

7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one (PubChem CID 3500107) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is 7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
PubChem CID3500107
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
SMILESCC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2S/c1-10(22)9-24-17-20-15-8-12(19)4-7-14(15)16(23)21(17)13-5-2-11(18)3-6-13/h2-8H,9H2,1H3
InChIKeyJYXIJSDAAVZHDL-UHFFFAOYSA-N
XLogP4.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-methylpropyl)acetamide
CID 5199700
N-(4-acetamidophenyl)-2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2084367
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 3471205
7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2531783
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 31400736
7-chloro-3-(4-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 42985377
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
7-chloro-3-(4-chlorophenyl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4536880
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 24684520
7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
CID 2086414
N-(4-chloro-2-fluorophenyl)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3951706
3-[3-(4-butan-2-ylphenyl)-7-chloro-4-oxoquinazolin-2-yl]sulfanyl-N-carbamoylpropanamide
CID 24587625

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one?
The IUPAC name of 7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one (CID 3500107) is 7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one?
The canonical SMILES for 7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one is CC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one?
The InChIKey is JYXIJSDAAVZHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c1-10(22)9-24-17-20-15-8-12(19)4-7-14(15)16(23)21(17)13-5-2-11(18)3-6-13/h2-8H,9H2,1H3.
What are the key properties of 7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one?
7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one has a molecular weight of 379.27 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 3500107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).