2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H22N2O — CID 63510855

IUPAC2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1CCC(Oc2nc3c(cc2C#N)CCCC3)CC1
InChIInChI=1S/C17H22N2O/c1-12-6-8-15(9-7-12)20-17-14(11-18)10-13-4-2-3-5-16(13)19-17/h10,12,15H,2-9H2,1H3
InChIKeyZWJWJDMXVUPQFW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.79
Rot. Bonds2

About 2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 63510855) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID63510855
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1CCC(Oc2nc3c(cc2C#N)CCCC3)CC1
InChIInChI=1S/C17H22N2O/c1-12-6-8-15(9-7-12)20-17-14(11-18)10-13-4-2-3-5-16(13)19-17/h10,12,15H,2-9H2,1H3
InChIKeyZWJWJDMXVUPQFW-UHFFFAOYSA-N
XLogP3.79
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 63510855) is 2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC1CCC(Oc2nc3c(cc2C#N)CCCC3)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is ZWJWJDMXVUPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-6-8-15(9-7-12)20-17-14(11-18)10-13-4-2-3-5-16(13)19-17/h10,12,15H,2-9H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 63510855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).