3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one

C20H24N2O2 — CID 56818810

IUPAC3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccccc2c1=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C20H24N2O2/c23-19-15-9-4-5-10-17(15)21-13-16(19)20(24)22-12-6-11-18(22)14-7-2-1-3-8-14/h4-5,9-10,13-14,18H,1-3,6-8,11-12H2,(H,21,23)
InChIKeyRSBBAXXCBTUQQU-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.71
Rot. Bonds2

About 3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one

3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one (PubChem CID 56818810) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one
PubChem CID56818810
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccccc2c1=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C20H24N2O2/c23-19-15-9-4-5-10-17(15)21-13-16(19)20(24)22-12-6-11-18(22)14-7-2-1-3-8-14/h4-5,9-10,13-14,18H,1-3,6-8,11-12H2,(H,21,23)
InChIKeyRSBBAXXCBTUQQU-UHFFFAOYSA-N
XLogP3.71
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]-6-bromo-1H-quinolin-4-one
CID 99783009
3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 124879493
3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 51091748
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
CID 95593582
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1H-quinolin-4-one
CID 56810081
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl(1H-indol-3-yl)methanone
CID 67223431
5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717698
1H-indol-3-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316389
1-(1H-indole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 60958469
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103718289
N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119652095
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 95579846

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one?
The IUPAC name of 3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one (CID 56818810) is 3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one?
The canonical SMILES for 3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one is O=C(c1c[nH]c2ccccc2c1=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one?
The InChIKey is RSBBAXXCBTUQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19-15-9-4-5-10-17(15)21-13-16(19)20(24)22-12-6-11-18(22)14-7-2-1-3-8-14/h4-5,9-10,13-14,18H,1-3,6-8,11-12H2,(H,21,23).
What are the key properties of 3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one?
3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one has a molecular weight of 324.42 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one is sourced from PubChem (CID 56818810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).