6-bromo-4-(propylamino)quinoline-3-carbonitrile

C13H12BrN3 — CID 62190068

IUPAC6-bromo-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2ccc(Br)cc12
InChIInChI=1S/C13H12BrN3/c1-2-5-16-13-9(7-15)8-17-12-4-3-10(14)6-11(12)13/h3-4,6,8H,2,5H2,1H3,(H,16,17)
InChIKeyAQELPYPHLXCYTD-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.69
Rot. Bonds3

About 6-bromo-4-(propylamino)quinoline-3-carbonitrile

6-bromo-4-(propylamino)quinoline-3-carbonitrile (PubChem CID 62190068) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 6-bromo-4-(propylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-(propylamino)quinoline-3-carbonitrile
PubChem CID62190068
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC Name6-bromo-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2ccc(Br)cc12
InChIInChI=1S/C13H12BrN3/c1-2-5-16-13-9(7-15)8-17-12-4-3-10(14)6-11(12)13/h3-4,6,8H,2,5H2,1H3,(H,16,17)
InChIKeyAQELPYPHLXCYTD-UHFFFAOYSA-N
XLogP3.69
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-4-(propylamino)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-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
CID 62187998
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-(ethylamino)-6-propoxyquinoline-3-carbonitrile
CID 55059974
7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
CID 62189896
8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
4-(propylamino)benzo[h]quinoline-3-carbonitrile
CID 62188673
8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 82758267
2-[(3,6-dibromoquinolin-4-yl)amino]ethanol
CID 143875719
2-[(6-bromo-3-cyanoquinolin-4-yl)amino]benzoic acid
CID 155235404
6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62188170
6-ethyl-4-hydrazinylquinoline-3-carbonitrile
CID 62251966
6-chloro-4-[(2-hydroxy-2,3-dimethylpentyl)amino]quinoline-3-carbonitrile
CID 133352675

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(propylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-bromo-4-(propylamino)quinoline-3-carbonitrile (CID 62190068) is 6-bromo-4-(propylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-(propylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-bromo-4-(propylamino)quinoline-3-carbonitrile is CCCNc1c(C#N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-(propylamino)quinoline-3-carbonitrile?
The InChIKey is AQELPYPHLXCYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c1-2-5-16-13-9(7-15)8-17-12-4-3-10(14)6-11(12)13/h3-4,6,8H,2,5H2,1H3,(H,16,17).
What are the key properties of 6-bromo-4-(propylamino)quinoline-3-carbonitrile?
6-bromo-4-(propylamino)quinoline-3-carbonitrile has a molecular weight of 290.16 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(propylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 62190068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).