1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one

C19H18ClNO2 — CID 39768018

IUPAC1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CCCOc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H18ClNO2/c1-14-13-19(22)21(18-6-3-2-5-17(14)18)11-4-12-23-16-9-7-15(20)8-10-16/h2-3,5-10,13H,4,11-12H2,1H3
InChIKeyVLIMYBAGHBOXRB-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.43
Rot. Bonds5

About 1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one

1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one (PubChem CID 39768018) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one
PubChem CID39768018
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CCCOc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H18ClNO2/c1-14-13-19(22)21(18-6-3-2-5-17(14)18)11-4-12-23-16-9-7-15(20)8-10-16/h2-3,5-10,13H,4,11-12H2,1H3
InChIKeyVLIMYBAGHBOXRB-UHFFFAOYSA-N
XLogP4.43
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-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

1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one
CID 39768066
4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768022
1-[3-(4-chlorophenoxy)propyl]-3-methylbenzimidazol-2-one
CID 2237155
2-chloro-10-(3-phenoxypropyl)acridin-9-one
CID 139792441
4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768203
4-methyl-1-(3-oxobutyl)quinolin-2-one
CID 919960
4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one
CID 39768400
N-(2,5-dichlorophenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763973
1-[3-(4-chlorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine
CID 17272669
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one
CID 39767907
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one?
The IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one (CID 39768018) is 1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one?
The canonical SMILES for 1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one is Cc1cc(=O)n(CCCOc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one?
The InChIKey is VLIMYBAGHBOXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-14-13-19(22)21(18-6-3-2-5-17(14)18)11-4-12-23-16-9-7-15(20)8-10-16/h2-3,5-10,13H,4,11-12H2,1H3.
What are the key properties of 1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one?
1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one has a molecular weight of 327.81 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one is sourced from PubChem (CID 39768018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).