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

C17H19N3O — CID 133399438

IUPAC4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile
SMILESCOC1CCCC(Nc2cc(C#N)nc3ccccc23)C1
InChIInChI=1S/C17H19N3O/c1-21-14-6-4-5-12(9-14)19-17-10-13(11-18)20-16-8-3-2-7-15(16)17/h2-3,7-8,10,12,14H,4-6,9H2,1H3,(H,19,20)
InChIKeyOWJJZWAFTAPYTH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.48
Rot. Bonds3

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

4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile (PubChem CID 133399438) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile
PubChem CID133399438
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile
SMILESCOC1CCCC(Nc2cc(C#N)nc3ccccc23)C1
InChIInChI=1S/C17H19N3O/c1-21-14-6-4-5-12(9-14)19-17-10-13(11-18)20-16-8-3-2-7-15(16)17/h2-3,7-8,10,12,14H,4-6,9H2,1H3,(H,19,20)
InChIKeyOWJJZWAFTAPYTH-UHFFFAOYSA-N
XLogP3.48
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile?
The IUPAC name of 4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile (CID 133399438) is 4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile?
The canonical SMILES for 4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile is COC1CCCC(Nc2cc(C#N)nc3ccccc23)C1.
What is the InChIKey of 4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile?
The InChIKey is OWJJZWAFTAPYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-21-14-6-4-5-12(9-14)19-17-10-13(11-18)20-16-8-3-2-7-15(16)17/h2-3,7-8,10,12,14H,4-6,9H2,1H3,(H,19,20).
What are the key properties of 4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile?
4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxycyclohexyl)amino]quinoline-2-carbonitrile is sourced from PubChem (CID 133399438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).