4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one

C24H21N3O2 — CID 144516298

IUPAC4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCc1ccc2cc(-c3cc(OCC4CNC(=O)C4)c4cccnc4c3)ccc2n1
InChIInChI=1S/C24H21N3O2/c1-15-4-5-18-10-17(6-7-21(18)27-15)19-11-22-20(3-2-8-25-22)23(12-19)29-14-16-9-24(28)26-13-16/h2-8,10-12,16H,9,13-14H2,1H3,(H,26,28)
InChIKeyHFESEHUTOBJBRQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.27
Rot. Bonds4

About 4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one

4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 144516298) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID144516298
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCc1ccc2cc(-c3cc(OCC4CNC(=O)C4)c4cccnc4c3)ccc2n1
InChIInChI=1S/C24H21N3O2/c1-15-4-5-18-10-17(6-7-21(18)27-15)19-11-22-20(3-2-8-25-22)23(12-19)29-14-16-9-24(28)26-13-16/h2-8,10-12,16H,9,13-14H2,1H3,(H,26,28)
InChIKeyHFESEHUTOBJBRQ-UHFFFAOYSA-N
XLogP4.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-ethoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 373611
1-[3-[[1-[2-(2-Methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]pyrrolidin-2-one
CID 10216873
(1S,2S)-Cyclohexane-1,2-dicarboxylic acid 1-hydroxyamide 2-{[4-(quinolin-5-yloxymethyl)-phenyl]-amide}
CID 44357024
N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide
CID 77105820
N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide
CID 77106030
(4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 53341079
(R)-4-((7-(3,4-dimethoxyphenyl)-1,6-naphthyridine-5-yloxy)methyl)pyrrolidine-2-one
CID 58071896
(4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071908
(4R)-4-[(1R)-1-[[7-(3,5-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071913
(4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
CID 58071919
(4R)-4-[(1R)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071980
4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1,6-naphthyridin-7-yl]benzonitrile
CID 58071997

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one (CID 144516298) is 4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one is Cc1ccc2cc(-c3cc(OCC4CNC(=O)C4)c4cccnc4c3)ccc2n1.
What is the InChIKey of 4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is HFESEHUTOBJBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15-4-5-18-10-17(6-7-21(18)27-15)19-11-22-20(3-2-8-25-22)23(12-19)29-14-16-9-24(28)26-13-16/h2-8,10-12,16H,9,13-14H2,1H3,(H,26,28).
What are the key properties of 4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 383.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 144516298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).