1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one

C22H22N2O4 — CID 171389313

IUPAC1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(C)c3ccc(N4CCCC4=O)cc3n2)cc(O)c1OC
InChIInChI=1S/C22H22N2O4/c1-13-9-17(14-10-19(25)22(28-3)20(11-14)27-2)23-18-12-15(6-7-16(13)18)24-8-4-5-21(24)26/h6-7,9-12,25H,4-5,8H2,1-3H3
InChIKeyNSWSODAKWPEELQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.06
Rot. Bonds4

About 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one

1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one (PubChem CID 171389313) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one
PubChem CID171389313
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(C)c3ccc(N4CCCC4=O)cc3n2)cc(O)c1OC
InChIInChI=1S/C22H22N2O4/c1-13-9-17(14-10-19(25)22(28-3)20(11-14)27-2)23-18-12-15(6-7-16(13)18)24-8-4-5-21(24)26/h6-7,9-12,25H,4-5,8H2,1-3H3
InChIKeyNSWSODAKWPEELQ-UHFFFAOYSA-N
XLogP4.06
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one
CID 169420701
1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one
CID 169416106
1-[4-[5-(4-hydroxy-3-methoxyphenyl)-1-methylpyrazol-3-yl]phenyl]pyrrolidin-2-one
CID 136801460
1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one
CID 169422309
formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one
CID 171339251
1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one
CID 170511746
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
1-(3-methoxy-4-propan-2-ylphenyl)pyrrolidin-2-one
CID 146634256
1-(3-methoxy-4-nitrophenyl)pyrrolidin-2-one
CID 166609008
3,4,5-trimethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687225
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
N,N-dimethylmethanamine;2-methoxyphenol;1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one (CID 171389313) is 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one is COc1cc(-c2cc(C)c3ccc(N4CCCC4=O)cc3n2)cc(O)c1OC.
What is the InChIKey of 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one?
The InChIKey is NSWSODAKWPEELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-13-9-17(14-10-19(25)22(28-3)20(11-14)27-2)23-18-12-15(6-7-16(13)18)24-8-4-5-21(24)26/h6-7,9-12,25H,4-5,8H2,1-3H3.
What are the key properties of 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one?
1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one has a molecular weight of 378.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one is sourced from PubChem (CID 171389313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).