6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C23H24N2O2 — CID 154836302

IUPAC6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CC(c4ccccc4)C4CCCC43)ccc2N1
InChIInChI=1S/C23H24N2O2/c26-22-12-10-16-13-17(9-11-20(16)24-22)23(27)25-14-19(15-5-2-1-3-6-15)18-7-4-8-21(18)25/h1-3,5-6,9,11,13,18-19,21H,4,7-8,10,12,14H2,(H,24,26)
InChIKeyUTGVSTMQPVXEQF-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.98
Rot. Bonds2

About 6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 154836302) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID154836302
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)N3CC(c4ccccc4)C4CCCC43)ccc2N1
InChIInChI=1S/C23H24N2O2/c26-22-12-10-16-13-17(9-11-20(16)24-22)23(27)25-14-19(15-5-2-1-3-6-15)18-7-4-8-21(18)25/h1-3,5-6,9,11,13,18-19,21H,4,7-8,10,12,14H2,(H,24,26)
InChIKeyUTGVSTMQPVXEQF-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one
CID 154837875
6-(3-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103605924
6-(2-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13369760
2-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195952
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328
6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103714923
6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103806132
(4S)-2-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 129466708
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 102711615
(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid
CID 125133531
6-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 154738912

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 154836302) is 6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)N3CC(c4ccccc4)C4CCCC43)ccc2N1.
What is the InChIKey of 6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UTGVSTMQPVXEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22-12-10-16-13-17(9-11-20(16)24-22)23(27)25-14-19(15-5-2-1-3-6-15)18-7-4-8-21(18)25/h1-3,5-6,9,11,13,18-19,21H,4,7-8,10,12,14H2,(H,24,26).
What are the key properties of 6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 360.46 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 154836302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).