(4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide

C18H23N3O2 — CID 97048352

IUPAC(4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
SMILESO=C1CCc2ccc(NC(=O)N3CCC[C@H]4CCC[C@@H]43)cc2N1
InChIInChI=1S/C18H23N3O2/c22-17-9-7-12-6-8-14(11-15(12)20-17)19-18(23)21-10-2-4-13-3-1-5-16(13)21/h6,8,11,13,16H,1-5,7,9-10H2,(H,19,23)(H,20,22)/t13-,16+/m1/s1
InChIKeyIWYLIPYHHBAVCK-CJNGLKHVSA-N
MW313.40 g/mol
LogP3.37
Rot. Bonds1

About (4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide

(4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide (PubChem CID 97048352) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide.

Molecular Properties

Compound Name(4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
PubChem CID97048352
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
SMILESO=C1CCc2ccc(NC(=O)N3CCC[C@H]4CCC[C@@H]43)cc2N1
InChIInChI=1S/C18H23N3O2/c22-17-9-7-12-6-8-14(11-15(12)20-17)19-18(23)21-10-2-4-13-3-1-5-16(13)21/h6,8,11,13,16H,1-5,7,9-10H2,(H,19,23)(H,20,22)/t13-,16+/m1/s1
InChIKeyIWYLIPYHHBAVCK-CJNGLKHVSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide with MolForge

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Related Compounds

(2R)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 97305922
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)benzoic acid
CID 65319992
(3S)-3-(2,5-difluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-1-carboxamide
CID 124736316
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119326437
(4aS,7aR)-N-(3-iodophenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96529176
2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91962370
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119326443
(4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 136783606
1-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxamide
CID 119326456
(2S)-1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185659
2-cyclopentyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 71938993
2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 71939005

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The IUPAC name of (4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide (CID 97048352) is (4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide.
What is the SMILES notation for (4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The canonical SMILES for (4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide is O=C1CCc2ccc(NC(=O)N3CCC[C@H]4CCC[C@@H]43)cc2N1.
What is the InChIKey of (4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The InChIKey is IWYLIPYHHBAVCK-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17-9-7-12-6-8-14(11-15(12)20-17)19-18(23)21-10-2-4-13-3-1-5-16(13)21/h6,8,11,13,16H,1-5,7,9-10H2,(H,19,23)(H,20,22)/t13-,16+/m1/s1.
What are the key properties of (4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
(4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide is sourced from PubChem (CID 97048352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).