1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide

C21H21ClN2O3 — CID 3642546

IUPAC1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H21ClN2O3/c1-27-12-4-11-23-21(26)18-13-20(25)24(19-6-3-2-5-17(18)19)14-15-7-9-16(22)10-8-15/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,23,26)
InChIKeyQKUJTMGWPRLJNM-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.47
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide (PubChem CID 3642546) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide
PubChem CID3642546
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H21ClN2O3/c1-27-12-4-11-23-21(26)18-13-20(25)24(19-6-3-2-5-17(18)19)14-15-7-9-16(22)10-8-15/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,23,26)
InChIKeyQKUJTMGWPRLJNM-UHFFFAOYSA-N
XLogP3.47
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide (CID 3642546) is 1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide is COCCCNC(=O)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide?
The InChIKey is QKUJTMGWPRLJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-27-12-4-11-23-21(26)18-13-20(25)24(19-6-3-2-5-17(18)19)14-15-7-9-16(22)10-8-15/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,23,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide has a molecular weight of 384.86 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 3642546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).