6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one

C16H19NO2 — CID 43160672

IUPAC6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)C3CCCCC3)ccc2N1
InChIInChI=1S/C16H19NO2/c18-15-9-7-12-10-13(6-8-14(12)17-15)16(19)11-4-2-1-3-5-11/h6,8,10-11H,1-5,7,9H2,(H,17,18)
InChIKeyXPQNBIKSSJHHEM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.33
Rot. Bonds2

About 6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one

6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43160672) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43160672
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)C3CCCCC3)ccc2N1
InChIInChI=1S/C16H19NO2/c18-15-9-7-12-10-13(6-8-14(12)17-15)16(19)11-4-2-1-3-5-11/h6,8,10-11H,1-5,7,9H2,(H,17,18)
InChIKeyXPQNBIKSSJHHEM-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one
CID 65018582
5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619
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-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006893
6-[4-(cyclopentanecarbonyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110807504
6-(2-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13369760
6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006770
N-[2-(cycloheptylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 119619891
6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 94026325
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 82032485

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 43160672) is 6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)C3CCCCC3)ccc2N1.
What is the InChIKey of 6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XPQNBIKSSJHHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15-9-7-12-10-13(6-8-14(12)17-15)16(19)11-4-2-1-3-5-11/h6,8,10-11H,1-5,7,9H2,(H,17,18).
What are the key properties of 6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 257.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43160672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).