4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile

C14H16N4O — CID 64541518

IUPAC4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile
SMILESCC(O)C(N)CNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C14H16N4O/c1-9(19)12(16)8-18-14-10(6-15)7-17-13-5-3-2-4-11(13)14/h2-5,7,9,12,19H,8,16H2,1H3,(H,17,18)
InChIKeyDFXHKUBVHOTQRW-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.23
Rot. Bonds4

About 4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile

4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile (PubChem CID 64541518) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile
PubChem CID64541518
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile
SMILESCC(O)C(N)CNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C14H16N4O/c1-9(19)12(16)8-18-14-10(6-15)7-17-13-5-3-2-4-11(13)14/h2-5,7,9,12,19H,8,16H2,1H3,(H,17,18)
InChIKeyDFXHKUBVHOTQRW-UHFFFAOYSA-N
XLogP1.23
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(2-amino-3-hydroxybutyl)amino]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

4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
CID 104594174
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
CID 43668990
3-[(3-cyanoquinolin-4-yl)amino]propanamide
CID 43669033
3-[(3-cyanoquinolin-4-yl)amino]butanoic acid
CID 43668869
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842
4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile
CID 43668936
3-methyl-4-[(3-methylquinolin-4-yl)amino]butan-2-ol
CID 166303875
4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 43668942

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile (CID 64541518) is 4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile is CC(O)C(N)CNc1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile?
The InChIKey is DFXHKUBVHOTQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9(19)12(16)8-18-14-10(6-15)7-17-13-5-3-2-4-11(13)14/h2-5,7,9,12,19H,8,16H2,1H3,(H,17,18).
What are the key properties of 4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile?
4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 64541518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).