methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate

C21H19ClN2O3 — CID 30591047

IUPACmethyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C21H19ClN2O3/c1-27-20(25)11-6-12-23-21(26)16-13-19(15-8-2-4-9-17(15)22)24-18-10-5-3-7-14(16)18/h2-5,7-10,13H,6,11-12H2,1H3,(H,23,26)
InChIKeyDJDKYERSCRAQPG-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.24
Rot. Bonds6

About methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate

methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate (PubChem CID 30591047) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
PubChem CID30591047
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Namemethyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C21H19ClN2O3/c1-27-20(25)11-6-12-23-21(26)16-13-19(15-8-2-4-9-17(15)22)24-18-10-5-3-7-14(16)18/h2-5,7-10,13H,6,11-12H2,1H3,(H,23,26)
InChIKeyDJDKYERSCRAQPG-UHFFFAOYSA-N
XLogP4.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate 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

2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
CID 3625064
2-(2-chlorophenyl)-N-[(3S)-3-[(R)-methylsulfinyl]butyl]quinoline-4-carboxamide
CID 97086947
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 27690460
N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 167970107
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate?
The IUPAC name of methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate (CID 30591047) is methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate?
The canonical SMILES for methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate is COC(=O)CCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate?
The InChIKey is DJDKYERSCRAQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-27-20(25)11-6-12-23-21(26)16-13-19(15-8-2-4-9-17(15)22)24-18-10-5-3-7-14(16)18/h2-5,7-10,13H,6,11-12H2,1H3,(H,23,26).
What are the key properties of methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate?
methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate has a molecular weight of 382.85 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate is sourced from PubChem (CID 30591047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).