1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one

C21H22N2O2 — CID 27829776

IUPAC1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H22N2O2/c1-15-9-10-19-16(13-15)6-3-12-23(19)21(25)17-5-2-7-18(14-17)22-11-4-8-20(22)24/h2,5,7,9-10,13-14H,3-4,6,8,11-12H2,1H3
InChIKeyXTOVPPOFXGEKFH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.71
Rot. Bonds2

About 1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one

1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 27829776) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID27829776
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H22N2O2/c1-15-9-10-19-16(13-15)6-3-12-23(19)21(25)17-5-2-7-18(14-17)22-11-4-8-20(22)24/h2,5,7,9-10,13-14H,3-4,6,8,11-12H2,1H3
InChIKeyXTOVPPOFXGEKFH-UHFFFAOYSA-N
XLogP3.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27825940
1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110309326
1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 55438632
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928
[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24655662
(3,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103955497
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(2-amino-4-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62153420
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24696393
(3,5-dimethoxy-4-methylphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288929

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one (CID 27829776) is 1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one is Cc1ccc2c(c1)CCCN2C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is XTOVPPOFXGEKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-9-10-19-16(13-15)6-3-12-23(19)21(25)17-5-2-7-18(14-17)22-11-4-8-20(22)24/h2,5,7,9-10,13-14H,3-4,6,8,11-12H2,1H3.
What are the key properties of 1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 334.42 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 27829776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).