1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one

C21H20N2O — CID 169420701

IUPAC1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one
SMILESCc1cccc(-c2cc(C)c3cc(N4CCCC4=O)ccc3n2)c1
InChIInChI=1S/C21H20N2O/c1-14-5-3-6-16(11-14)20-12-15(2)18-13-17(8-9-19(18)22-20)23-10-4-7-21(23)24/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3
InChIKeyYTLNEFOUQRHSRO-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.65
Rot. Bonds2

About 1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one

1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one (PubChem CID 169420701) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one
PubChem CID169420701
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one
SMILESCc1cccc(-c2cc(C)c3cc(N4CCCC4=O)ccc3n2)c1
InChIInChI=1S/C21H20N2O/c1-14-5-3-6-16(11-14)20-12-15(2)18-13-17(8-9-19(18)22-20)23-10-4-7-21(23)24/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3
InChIKeyYTLNEFOUQRHSRO-UHFFFAOYSA-N
XLogP4.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one
CID 169422309
1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one
CID 169416106
1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one
CID 170511746
formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one
CID 171339251
1-[4-(3-methylphenyl)phenyl]piperidin-2-one
CID 156557854
1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one
CID 171389313
2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 170511551
1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 9398580
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
CID 146039999
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one (CID 169420701) is 1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one is Cc1cccc(-c2cc(C)c3cc(N4CCCC4=O)ccc3n2)c1.
What is the InChIKey of 1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one?
The InChIKey is YTLNEFOUQRHSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-14-5-3-6-16(11-14)20-12-15(2)18-13-17(8-9-19(18)22-20)23-10-4-7-21(23)24/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one?
1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 169420701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).