2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one

C19H22N2O2 — CID 95593582

IUPAC2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@H]21
InChIInChI=1S/C19H22N2O2/c22-18-12-16(20-15-9-3-2-8-14(15)18)19(23)21-11-5-7-13-6-1-4-10-17(13)21/h2-3,8-9,12-13,17H,1,4-7,10-11H2,(H,20,22)/t13-,17+/m0/s1
InChIKeyVNIODUUACNRHJS-SUMWQHHRSA-N
MW310.40 g/mol
LogP3.32
Rot. Bonds1

About 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one

2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one (PubChem CID 95593582) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
PubChem CID95593582
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@H]21
InChIInChI=1S/C19H22N2O2/c22-18-12-16(20-15-9-3-2-8-14(15)18)19(23)21-11-5-7-13-6-1-4-10-17(13)21/h2-3,8-9,12-13,17H,1,4-7,10-11H2,(H,20,22)/t13-,17+/m0/s1
InChIKeyVNIODUUACNRHJS-SUMWQHHRSA-N
XLogP3.32
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one with MolForge

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1H-quinolin-4-one
CID 56810081
2-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197135
2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197136
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 87042859
3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one
CID 56818810
(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
CID 91642214
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504437
2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
CID 95215815
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 95579846
2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one
CID 62897216
(4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 47268425

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one (CID 95593582) is 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one is O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@H]21.
What is the InChIKey of 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is VNIODUUACNRHJS-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-12-16(20-15-9-3-2-8-14(15)18)19(23)21-11-5-7-13-6-1-4-10-17(13)21/h2-3,8-9,12-13,17H,1,4-7,10-11H2,(H,20,22)/t13-,17+/m0/s1.
What are the key properties of 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one?
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 310.40 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 95593582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).