7-chloro-1-cyclohexyl-4-methylquinazolin-2-one

C15H17ClN2O — CID 159258244

IUPAC7-chloro-1-cyclohexyl-4-methylquinazolin-2-one
SMILESCc1nc(=O)n(C2CCCCC2)c2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O/c1-10-13-8-7-11(16)9-14(13)18(15(19)17-10)12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3
InChIKeyKWEGHKHWWPGMRN-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.86
Rot. Bonds1

About 7-chloro-1-cyclohexyl-4-methylquinazolin-2-one

7-chloro-1-cyclohexyl-4-methylquinazolin-2-one (PubChem CID 159258244) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 7-chloro-1-cyclohexyl-4-methylquinazolin-2-one.

Molecular Properties

Compound Name7-chloro-1-cyclohexyl-4-methylquinazolin-2-one
PubChem CID159258244
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name7-chloro-1-cyclohexyl-4-methylquinazolin-2-one
SMILESCc1nc(=O)n(C2CCCCC2)c2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O/c1-10-13-8-7-11(16)9-14(13)18(15(19)17-10)12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3
InChIKeyKWEGHKHWWPGMRN-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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7-chloro-3-cyclohexyl-2-(2-oxopropylsulfanyl)quinazolin-4-one
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6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole
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6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one
CID 83852712
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470231
2-(6-chloro-2-methylindol-1-yl)cyclohexan-1-one
CID 170555001
3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
CID 3389789
3-(butylamino)-8-chloro-5-cyclohexylpyrimido[4,5-c]isoquinolin-6-one
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2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclohexyl-4-methylquinazolin-2-one?
The IUPAC name of 7-chloro-1-cyclohexyl-4-methylquinazolin-2-one (CID 159258244) is 7-chloro-1-cyclohexyl-4-methylquinazolin-2-one.
What is the SMILES notation for 7-chloro-1-cyclohexyl-4-methylquinazolin-2-one?
The canonical SMILES for 7-chloro-1-cyclohexyl-4-methylquinazolin-2-one is Cc1nc(=O)n(C2CCCCC2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-1-cyclohexyl-4-methylquinazolin-2-one?
The InChIKey is KWEGHKHWWPGMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-13-8-7-11(16)9-14(13)18(15(19)17-10)12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3.
What are the key properties of 7-chloro-1-cyclohexyl-4-methylquinazolin-2-one?
7-chloro-1-cyclohexyl-4-methylquinazolin-2-one has a molecular weight of 276.77 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclohexyl-4-methylquinazolin-2-one is sourced from PubChem (CID 159258244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).