4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile

C17H19N3 — CID 43668993

IUPAC4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
SMILESCC1CCCC(Nc2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C17H19N3/c1-12-5-4-6-14(9-12)20-17-13(10-18)11-19-16-8-3-2-7-15(16)17/h2-3,7-8,11-12,14H,4-6,9H2,1H3,(H,19,20)
InChIKeyIHIUBPYWUSJFAP-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.10
Rot. Bonds2

About 4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile

4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile (PubChem CID 43668993) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
PubChem CID43668993
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
SMILESCC1CCCC(Nc2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C17H19N3/c1-12-5-4-6-14(9-12)20-17-13(10-18)11-19-16-8-3-2-7-15(16)17/h2-3,7-8,11-12,14H,4-6,9H2,1H3,(H,19,20)
InChIKeyIHIUBPYWUSJFAP-UHFFFAOYSA-N
XLogP4.10
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile (CID 43668993) is 4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile is CC1CCCC(Nc2c(C#N)cnc3ccccc23)C1.
What is the InChIKey of 4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile?
The InChIKey is IHIUBPYWUSJFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-5-4-6-14(9-12)20-17-13(10-18)11-19-16-8-3-2-7-15(16)17/h2-3,7-8,11-12,14H,4-6,9H2,1H3,(H,19,20).
What are the key properties of 4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile?
4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 43668993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).