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

C17H19ClN2O2S — CID 2531783

IUPAC7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one
SMILESCC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C17H19ClN2O2S/c1-11(21)10-23-17-19-15-9-12(18)7-8-14(15)16(22)20(17)13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3
InChIKeyHMKGVKFICLGOSQ-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.24
Rot. Bonds4

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

7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one (PubChem CID 2531783) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one
PubChem CID2531783
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one
SMILESCC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C17H19ClN2O2S/c1-11(21)10-23-17-19-15-9-12(18)7-8-14(15)16(22)20(17)13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3
InChIKeyHMKGVKFICLGOSQ-UHFFFAOYSA-N
XLogP4.24
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 2662815
2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 2530674
2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 2418977
2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 24596557
4-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile
CID 4783005
7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 3500107
7-chloro-3-cyclopentyl-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 40952418
N-[(3-chlorophenyl)methyl]-3-cyclohexyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxamide
CID 22333599
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7988471
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470231
N-(4-chloro-2-methylphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980194
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one?
The IUPAC name of 7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one (CID 2531783) is 7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one?
The canonical SMILES for 7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one is CC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1.
What is the InChIKey of 7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one?
The InChIKey is HMKGVKFICLGOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-11(21)10-23-17-19-15-9-12(18)7-8-14(15)16(22)20(17)13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3.
What are the key properties of 7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one?
7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one has a molecular weight of 350.87 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 2531783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).