1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one

C15H18N2O — CID 154335214

IUPAC1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one
SMILESCC1(C)C=C(N2CCCC2=O)c2ccccc2N1
InChIInChI=1S/C15H18N2O/c1-15(2)10-13(17-9-5-8-14(17)18)11-6-3-4-7-12(11)16-15/h3-4,6-7,10,16H,5,8-9H2,1-2H3
InChIKeyXSQIGPBGOXLSJG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.85
Rot. Bonds1

About 1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one

1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one (PubChem CID 154335214) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one
PubChem CID154335214
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one
SMILESCC1(C)C=C(N2CCCC2=O)c2ccccc2N1
InChIInChI=1S/C15H18N2O/c1-15(2)10-13(17-9-5-8-14(17)18)11-6-3-4-7-12(11)16-15/h3-4,6-7,10,16H,5,8-9H2,1-2H3
InChIKeyXSQIGPBGOXLSJG-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one
CID 67869814
2,2,4-trimethyl-1H-quinoline;hydrochloride
CID 6602975
1-(2H-chromen-4-yl)pyrrolidin-2-one
CID 19937601
7,7-dimethyl-8-oxo-5-(2-oxopyrrolidin-1-yl)naphthalene-2-carbonitrile
CID 14957747
N-[6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)naphthalen-2-yl]-N-methylacetamide
CID 14957745
1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517282
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide
CID 174337157
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-[6-hydroxy-3-(2-hydroxyphenyl)-2-methylphenyl]pyrrolidin-2-one
CID 70372340
1-[4-(2-dimethylphosphanylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one
CID 166883422
2,2-dimethyl-1,3-dihydroquinazolin-4-one
CID 595161

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one (CID 154335214) is 1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one is CC1(C)C=C(N2CCCC2=O)c2ccccc2N1.
What is the InChIKey of 1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one?
The InChIKey is XSQIGPBGOXLSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2)10-13(17-9-5-8-14(17)18)11-6-3-4-7-12(11)16-15/h3-4,6-7,10,16H,5,8-9H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one?
1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 154335214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).