4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one

C24H24N2O2 — CID 154837875

IUPAC4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(C(=O)N3CC(c4ccccc4)C4CCCC43)ccc12
InChIInChI=1S/C24H24N2O2/c1-15-12-23(27)25-21-13-17(10-11-18(15)21)24(28)26-14-20(16-6-3-2-4-7-16)19-8-5-9-22(19)26/h2-4,6-7,10-13,19-20,22H,5,8-9,14H2,1H3,(H,25,27)
InChIKeyCYLAUBLKLIUSNK-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.24
Rot. Bonds2

About 4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one

4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one (PubChem CID 154837875) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one
PubChem CID154837875
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(C(=O)N3CC(c4ccccc4)C4CCCC43)ccc12
InChIInChI=1S/C24H24N2O2/c1-15-12-23(27)25-21-13-17(10-11-18(15)21)24(28)26-14-20(16-6-3-2-4-7-16)19-8-5-9-22(19)26/h2-4,6-7,10-13,19-20,22H,5,8-9,14H2,1H3,(H,25,27)
InChIKeyCYLAUBLKLIUSNK-UHFFFAOYSA-N
XLogP4.24
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 166298556
[(3S,3aR,6aR)-3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-[(2R,4R)-2-ethyloxan-4-yl]methanone
CID 124736634
(3-phenyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(thian-4-yl)methanone
CID 166224667
[(3R,3aS,8aS)-3-phenyl-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepin-1-yl]-(3-methoxyphenyl)methanone
CID 110137634
N-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-2-oxo-1H-quinoline-7-carboxamide
CID 146132326
7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 52535540
6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid
CID 10316895
2-(3-chloro-4-methylbenzoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890307
2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
CID 141321340
2-(3-fluoro-4-methylbenzoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890574
[(3S,3aS,7aR)-3-(4-methoxyphenyl)-5-[(2-methylphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]-phenylmethanone
CID 92562056

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one (CID 154837875) is 4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one is Cc1cc(=O)[nH]c2cc(C(=O)N3CC(c4ccccc4)C4CCCC43)ccc12.
What is the InChIKey of 4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one?
The InChIKey is CYLAUBLKLIUSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-15-12-23(27)25-21-13-17(10-11-18(15)21)24(28)26-14-20(16-6-3-2-4-7-16)19-8-5-9-22(19)26/h2-4,6-7,10-13,19-20,22H,5,8-9,14H2,1H3,(H,25,27).
What are the key properties of 4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one?
4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one has a molecular weight of 372.47 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(3-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 154837875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).