7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one

C22H23ClN2O2 — CID 26319674

IUPAC7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
SMILESO=c1c(CN2CCCC2)cc2ccc(Cl)cc2n1CCOc1ccccc1
InChIInChI=1S/C22H23ClN2O2/c23-19-9-8-17-14-18(16-24-10-4-5-11-24)22(26)25(21(17)15-19)12-13-27-20-6-2-1-3-7-20/h1-3,6-9,14-15H,4-5,10-13,16H2
InChIKeyBAQMZXNDQNMRQN-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.33
Rot. Bonds6

About 7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one

7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one (PubChem CID 26319674) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
PubChem CID26319674
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
SMILESO=c1c(CN2CCCC2)cc2ccc(Cl)cc2n1CCOc1ccccc1
InChIInChI=1S/C22H23ClN2O2/c23-19-9-8-17-14-18(16-24-10-4-5-11-24)22(26)25(21(17)15-19)12-13-27-20-6-2-1-3-7-20/h1-3,6-9,14-15H,4-5,10-13,16H2
InChIKeyBAQMZXNDQNMRQN-UHFFFAOYSA-N
XLogP4.33
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
CID 169128473
7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 42330354
7-chloro-1-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
CID 56860890
7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315
7-chloro-3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128453
N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide
CID 163359187
1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
CID 2124712
7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one
CID 45181917
7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 26396881
7-chloro-3-[[[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128491
7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
CID 163359200
3-[[[(3Z,5E)-6-bromo-2-methylidenehepta-3,5-dienyl]amino]methyl]-7-chloro-1-(2-phenoxyethyl)quinolin-2-one
CID 169128512

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one?
The IUPAC name of 7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one (CID 26319674) is 7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one.
What is the SMILES notation for 7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one?
The canonical SMILES for 7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one is O=c1c(CN2CCCC2)cc2ccc(Cl)cc2n1CCOc1ccccc1.
What is the InChIKey of 7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one?
The InChIKey is BAQMZXNDQNMRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-19-9-8-17-14-18(16-24-10-4-5-11-24)22(26)25(21(17)15-19)12-13-27-20-6-2-1-3-7-20/h1-3,6-9,14-15H,4-5,10-13,16H2.
What are the key properties of 7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one?
7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one has a molecular weight of 382.89 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one is sourced from PubChem (CID 26319674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).