4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C25H23N3O2 — CID 78045104

IUPAC4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1ccc2cc(-c3cc(OC(C)C4CNC(=O)C4)c4cccnc4c3)ccc2n1
InChIInChI=1S/C25H23N3O2/c1-15-5-6-18-10-17(7-8-22(18)28-15)19-11-23-21(4-3-9-26-23)24(12-19)30-16(2)20-13-25(29)27-14-20/h3-12,16,20H,13-14H2,1-2H3,(H,27,29)
InChIKeyOJGZBNSLQQIKDU-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.66
Rot. Bonds4

About 4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 78045104) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID78045104
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1ccc2cc(-c3cc(OC(C)C4CNC(=O)C4)c4cccnc4c3)ccc2n1
InChIInChI=1S/C25H23N3O2/c1-15-5-6-18-10-17(7-8-22(18)28-15)19-11-23-21(4-3-9-26-23)24(12-19)30-16(2)20-13-25(29)27-14-20/h3-12,16,20H,13-14H2,1-2H3,(H,27,29)
InChIKeyOJGZBNSLQQIKDU-UHFFFAOYSA-N
XLogP4.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(4R)-4-[(1R)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one
CID 58071876
(4R)-4-[(1R)-1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071894
(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-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 78045104) is 4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is Cc1ccc2cc(-c3cc(OC(C)C4CNC(=O)C4)c4cccnc4c3)ccc2n1.
What is the InChIKey of 4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is OJGZBNSLQQIKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-15-5-6-18-10-17(7-8-22(18)28-15)19-11-23-21(4-3-9-26-23)24(12-19)30-16(2)20-13-25(29)27-14-20/h3-12,16,20H,13-14H2,1-2H3,(H,27,29).
What are the key properties of 4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 397.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 78045104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).