N-(1-aminobutan-2-yl)quinoline-5-carboxamide

C14H17N3O — CID 63755174

IUPACN-(1-aminobutan-2-yl)quinoline-5-carboxamide
SMILESCCC(CN)NC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H17N3O/c1-2-10(9-15)17-14(18)12-5-3-7-13-11(12)6-4-8-16-13/h3-8,10H,2,9,15H2,1H3,(H,17,18)
InChIKeyOTHUUMPTNPWTNP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.70
Rot. Bonds4

About N-(1-aminobutan-2-yl)quinoline-5-carboxamide

N-(1-aminobutan-2-yl)quinoline-5-carboxamide (PubChem CID 63755174) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)quinoline-5-carboxamide
PubChem CID63755174
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(1-aminobutan-2-yl)quinoline-5-carboxamide
SMILESCCC(CN)NC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H17N3O/c1-2-10(9-15)17-14(18)12-5-3-7-13-11(12)6-4-8-16-13/h3-8,10H,2,9,15H2,1H3,(H,17,18)
InChIKeyOTHUUMPTNPWTNP-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-aminobutan-2-yl)quinoline-5-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-pentan-3-ylquinoline-4-carboxamide
CID 78813506
methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
CID 43422482
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
N-(2-amino-1-cyclopentylethyl)quinoline-5-carboxamide
CID 106737604
N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
CID 115770742
N-hex-5-yn-3-ylquinoline-4-carboxamide
CID 113241212
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
(2S,3R)-3-hydroxy-2-(quinoline-5-carbonylamino)butanoic acid
CID 104964931
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
1-ethyl-3-(quinoline-5-carbonylamino)urea
CID 75417515
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)quinoline-5-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)quinoline-5-carboxamide (CID 63755174) is N-(1-aminobutan-2-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)quinoline-5-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)quinoline-5-carboxamide is CCC(CN)NC(=O)c1cccc2ncccc12.
What is the InChIKey of N-(1-aminobutan-2-yl)quinoline-5-carboxamide?
The InChIKey is OTHUUMPTNPWTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-10(9-15)17-14(18)12-5-3-7-13-11(12)6-4-8-16-13/h3-8,10H,2,9,15H2,1H3,(H,17,18).
What are the key properties of N-(1-aminobutan-2-yl)quinoline-5-carboxamide?
N-(1-aminobutan-2-yl)quinoline-5-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)quinoline-5-carboxamide is sourced from PubChem (CID 63755174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).