N-(2-ethylbutyl)quinoline-6-carboxamide

C16H20N2O — CID 115613111

IUPACN-(2-ethylbutyl)quinoline-6-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O/c1-3-12(4-2)11-18-16(19)14-7-8-15-13(10-14)6-5-9-17-15/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyXERYOOACDPVPBN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.40
Rot. Bonds5

About N-(2-ethylbutyl)quinoline-6-carboxamide

N-(2-ethylbutyl)quinoline-6-carboxamide (PubChem CID 115613111) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-ethylbutyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)quinoline-6-carboxamide
PubChem CID115613111
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(2-ethylbutyl)quinoline-6-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H20N2O/c1-3-12(4-2)11-18-16(19)14-7-8-15-13(10-14)6-5-9-17-15/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyXERYOOACDPVPBN-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylbutyl)quinoline-6-carboxamide 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

N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
N-octylquinoline-6-carboxamide
CID 68863650
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
CID 103686077

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)quinoline-6-carboxamide?
The IUPAC name of N-(2-ethylbutyl)quinoline-6-carboxamide (CID 115613111) is N-(2-ethylbutyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)quinoline-6-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)quinoline-6-carboxamide is CCC(CC)CNC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(2-ethylbutyl)quinoline-6-carboxamide?
The InChIKey is XERYOOACDPVPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-12(4-2)11-18-16(19)14-7-8-15-13(10-14)6-5-9-17-15/h5-10,12H,3-4,11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethylbutyl)quinoline-6-carboxamide?
N-(2-ethylbutyl)quinoline-6-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)quinoline-6-carboxamide is sourced from PubChem (CID 115613111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).