6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile

C14H13ClN4 — CID 141161285

IUPAC6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(N)cc2c1NC1CCC1
InChIInChI=1S/C14H13ClN4/c15-12-5-9(17)4-11-13(19-10-2-1-3-10)8(6-16)7-18-14(11)12/h4-5,7,10H,1-3,17H2,(H,18,19)
InChIKeyXPGXEKWJMUVEQU-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.31
Rot. Bonds2

About 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile

6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile (PubChem CID 141161285) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile
PubChem CID141161285
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(N)cc2c1NC1CCC1
InChIInChI=1S/C14H13ClN4/c15-12-5-9(17)4-11-13(19-10-2-1-3-10)8(6-16)7-18-14(11)12/h4-5,7,10H,1-3,17H2,(H,18,19)
InChIKeyXPGXEKWJMUVEQU-UHFFFAOYSA-N
XLogP3.31
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile 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

6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 170984882
6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile
CID 145229955
8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile
CID 107607945
5-amino-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 60922873
4-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060080
2-bromo-6-chloro-1-N-cyclohexylbenzene-1,4-diamine
CID 50879510
4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile
CID 23498090
6-fluoro-8-methyl-4-[[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]quinoline-3-carbonitrile
CID 133321542
8-chloro-6-[[(R)-(1-cyclopropyltriazol-4-yl)-deuterio-(4-fluorophenyl)methyl]amino]-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]quinoline-3-carbonitrile
CID 140819515
5-bromo-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 76848500
4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668993
4-[[(1R,5S)-6-bicyclo[3.1.0]hexanyl]amino]-8-chloro-6-[[(R)-(2-chlorophenyl)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuteriomethyl]amino]quinoline-3-carbonitrile
CID 140819453

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile (CID 141161285) is 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile is N#Cc1cnc2c(Cl)cc(N)cc2c1NC1CCC1.
What is the InChIKey of 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile?
The InChIKey is XPGXEKWJMUVEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-12-5-9(17)4-11-13(19-10-2-1-3-10)8(6-16)7-18-14(11)12/h4-5,7,10H,1-3,17H2,(H,18,19).
What are the key properties of 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile?
6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 141161285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).