N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide

C16H20N2O2 — CID 11673471

IUPACN-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCNC(=O)c1c[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C16H20N2O2/c1-3-5-8-17-16(20)13-10-18-14-7-6-11(4-2)9-12(14)15(13)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQHHMSXBSEWIFOB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.62
Rot. Bonds5

About N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide

N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 11673471) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID11673471
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCNC(=O)c1c[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C16H20N2O2/c1-3-5-8-17-16(20)13-10-18-14-7-6-11(4-2)9-12(14)15(13)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQHHMSXBSEWIFOB-UHFFFAOYSA-N
XLogP2.62
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-6-ethyl-4-oxo-1H-quinoline-3-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 N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide (CID 11673471) is N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide is CCCCNC(=O)c1c[nH]c2ccc(CC)cc2c1=O.
What is the InChIKey of N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is QHHMSXBSEWIFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-5-8-17-16(20)13-10-18-14-7-6-11(4-2)9-12(14)15(13)19/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide?
N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11673471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).