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

C23H19N3O2 — CID 144516393

IUPAC4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one
SMILESO=C1CC(COc2cc(-c3ccc4ncccc4c3)cc3ncccc23)CN1
InChIInChI=1S/C23H19N3O2/c27-23-9-15(13-26-23)14-28-22-12-18(11-21-19(22)4-2-8-25-21)16-5-6-20-17(10-16)3-1-7-24-20/h1-8,10-12,15H,9,13-14H2,(H,26,27)
InChIKeyHQOSYQWHIIZKPB-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.96
Rot. Bonds4

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

4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one (PubChem CID 144516393) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one
PubChem CID144516393
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one
SMILESO=C1CC(COc2cc(-c3ccc4ncccc4c3)cc3ncccc23)CN1
InChIInChI=1S/C23H19N3O2/c27-23-9-15(13-26-23)14-28-22-12-18(11-21-19(22)4-2-8-25-21)16-5-6-20-17(10-16)3-1-7-24-20/h1-8,10-12,15H,9,13-14H2,(H,26,27)
InChIKeyHQOSYQWHIIZKPB-UHFFFAOYSA-N
XLogP3.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.96
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-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
CID 58071919
(4R)-4-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072012
(4R)-4-[(1R)-1-[[7-(3,4-dimethoxy-5-methylphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58072078
(4R)-4-[[7-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072091

Frequently Asked Questions

What is the IUPAC name of 4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one (CID 144516393) is 4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one is O=C1CC(COc2cc(-c3ccc4ncccc4c3)cc3ncccc23)CN1.
What is the InChIKey of 4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one?
The InChIKey is HQOSYQWHIIZKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23-9-15(13-26-23)14-28-22-12-18(11-21-19(22)4-2-8-25-21)16-5-6-20-17(10-16)3-1-7-24-20/h1-8,10-12,15H,9,13-14H2,(H,26,27).
What are the key properties of 4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one?
4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one has a molecular weight of 369.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-quinolin-6-ylquinolin-5-yl)oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 144516393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).