N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide

C15H17ClN2O2 — CID 100734647

IUPACN-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ccc(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H17ClN2O2/c1-2-3-7-17-15(20)10-18-8-6-14(19)12-9-11(16)4-5-13(12)18/h4-6,8-9H,2-3,7,10H2,1H3,(H,17,20)
InChIKeyCHLJERRDSIIANC-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.57
Rot. Bonds5

About N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide

N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide (PubChem CID 100734647) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
PubChem CID100734647
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ccc(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H17ClN2O2/c1-2-3-7-17-15(20)10-18-8-6-14(19)12-9-11(16)4-5-13(12)18/h4-6,8-9H,2-3,7,10H2,1H3,(H,17,20)
InChIKeyCHLJERRDSIIANC-UHFFFAOYSA-N
XLogP2.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide 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-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 100734816
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 100734852
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100734930
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 100735074
N-(3-acetamidophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100735847
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100734953
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017
N-(3-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43832718
N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915746

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide (CID 100734647) is N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide is CCCCNC(=O)Cn1ccc(=O)c2cc(Cl)ccc21.
What is the InChIKey of N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide?
The InChIKey is CHLJERRDSIIANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-3-7-17-15(20)10-18-8-6-14(19)12-9-11(16)4-5-13(12)18/h4-6,8-9H,2-3,7,10H2,1H3,(H,17,20).
What are the key properties of N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide?
N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide has a molecular weight of 292.77 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 100734647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).