4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile

C14H16N4O2 — CID 103875760

IUPAC4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile
SMILESCOCC(O)CCNc1c(C#N)nnc2ccccc12
InChIInChI=1S/C14H16N4O2/c1-20-9-10(19)6-7-16-14-11-4-2-3-5-12(11)17-18-13(14)8-15/h2-5,10,19H,6-7,9H2,1H3,(H,16,17)
InChIKeyVAFFVIHVJXMPCF-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.31
Rot. Bonds6

About 4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile

4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile (PubChem CID 103875760) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile
PubChem CID103875760
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile
SMILESCOCC(O)CCNc1c(C#N)nnc2ccccc12
InChIInChI=1S/C14H16N4O2/c1-20-9-10(19)6-7-16-14-11-4-2-3-5-12(11)17-18-13(14)8-15/h2-5,10,19H,6-7,9H2,1H3,(H,16,17)
InChIKeyVAFFVIHVJXMPCF-UHFFFAOYSA-N
XLogP1.31
TPSA91.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-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-ethoxyethylamino)cinnoline-3-carbonitrile
CID 64900269
4-(5-methylhexylamino)cinnoline-3-carbonitrile
CID 79002738
4-(2,2,3-trimethylbutylamino)cinnoline-3-carbonitrile
CID 102609039
4-[(2-ethyl-2-hydroxybutyl)amino]cinnoline-3-carbonitrile
CID 64982839
4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile
CID 64900702
4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile
CID 115486555
4-(5-methylhexan-2-ylamino)cinnoline-3-carbonitrile
CID 64897700
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 79359952
3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
CID 106243451
3-[(3-cyanocinnolin-4-yl)amino]propane-1-sulfonamide
CID 64900275
4-[(1-methylsulfanylcyclobutyl)methylamino]cinnoline-3-carbonitrile
CID 107268715
4-[(2-hydroxy-3-methoxypropyl)amino]cinnoline-3-carboxylic acid
CID 64623751

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile (CID 103875760) is 4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile is COCC(O)CCNc1c(C#N)nnc2ccccc12.
What is the InChIKey of 4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile?
The InChIKey is VAFFVIHVJXMPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-9-10(19)6-7-16-14-11-4-2-3-5-12(11)17-18-13(14)8-15/h2-5,10,19H,6-7,9H2,1H3,(H,16,17).
What are the key properties of 4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile?
4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile is sourced from PubChem (CID 103875760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).