6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one

C16H20N2O2 — CID 82006893

IUPAC6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(=O)C3CCCCC3)ccc2NC1=O
InChIInChI=1S/C16H20N2O2/c1-18-10-13-9-12(7-8-14(13)17-16(18)20)15(19)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,20)
InChIKeyHCBSGVUWYOKNOZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.43
Rot. Bonds2

About 6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one

6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82006893) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82006893
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(=O)C3CCCCC3)ccc2NC1=O
InChIInChI=1S/C16H20N2O2/c1-18-10-13-9-12(7-8-14(13)17-16(18)20)15(19)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,20)
InChIKeyHCBSGVUWYOKNOZ-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006770
5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one
CID 65018582
6-(2-cyclobutylacetyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 103162574
6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160672
5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619
6-(4-bromobenzoyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82005965
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 82032485
3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one
CID 82010256
6-(4-chlorobutanoyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 105400924
7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43338771
cyclopentyl(2,3-dihydro-1H-indol-5-yl)methanone
CID 39243587
6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006405

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one (CID 82006893) is 6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(=O)C3CCCCC3)ccc2NC1=O.
What is the InChIKey of 6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is HCBSGVUWYOKNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18-10-13-9-12(7-8-14(13)17-16(18)20)15(19)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,20).
What are the key properties of 6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 272.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82006893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).