2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide

C14H16N4O — CID 63885442

IUPAC2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide
SMILESNC(=O)c1cc(NC2CC(N)C2)nc2ccccc12
InChIInChI=1S/C14H16N4O/c15-8-5-9(6-8)17-13-7-11(14(16)19)10-3-1-2-4-12(10)18-13/h1-4,7-9H,5-6,15H2,(H2,16,19)(H,17,18)
InChIKeyMNMQPRXVZFFQCM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.24
Rot. Bonds3

About 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide

2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide (PubChem CID 63885442) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide
PubChem CID63885442
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide
SMILESNC(=O)c1cc(NC2CC(N)C2)nc2ccccc12
InChIInChI=1S/C14H16N4O/c15-8-5-9(6-8)17-13-7-11(14(16)19)10-3-1-2-4-12(10)18-13/h1-4,7-9H,5-6,15H2,(H2,16,19)(H,17,18)
InChIKeyMNMQPRXVZFFQCM-UHFFFAOYSA-N
XLogP1.24
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-aminocyclobutyl)amino]quinoline-4-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

2-Aminoquinoline-3-carboxamide
CID 5200228
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
N-(2-quinolinyl)benzamide
CID 2812454
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
N-(2-quinolinyl)cyclohexanecarboxamide
CID 2812969
9-Acridinecarboxamide, 1,2,3,4-tetrahydro-N-(1-methylethyl)-
CID 824113
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804
N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
CID 16759189
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dibutylamide
CID 11223216
[3-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-4-yl]-phenyl-methanone
CID 11290923

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide?
The IUPAC name of 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide (CID 63885442) is 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide?
The canonical SMILES for 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide is NC(=O)c1cc(NC2CC(N)C2)nc2ccccc12.
What is the InChIKey of 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide?
The InChIKey is MNMQPRXVZFFQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-8-5-9(6-8)17-13-7-11(14(16)19)10-3-1-2-4-12(10)18-13/h1-4,7-9H,5-6,15H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide?
2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide is sourced from PubChem (CID 63885442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).