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

C18H21N3 — CID 61446942

IUPAC4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
SMILESCC1CCCC(N(C)c2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C18H21N3/c1-13-6-5-7-15(10-13)21(2)18-14(11-19)12-20-17-9-4-3-8-16(17)18/h3-4,8-9,12-13,15H,5-7,10H2,1-2H3
InChIKeyFGTSWMFWEQVULY-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.12
Rot. Bonds2

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

4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile (PubChem CID 61446942) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
PubChem CID61446942
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
SMILESCC1CCCC(N(C)c2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C18H21N3/c1-13-6-5-7-15(10-13)21(2)18-14(11-19)12-20-17-9-4-3-8-16(17)18/h3-4,8-9,12-13,15H,5-7,10H2,1-2H3
InChIKeyFGTSWMFWEQVULY-UHFFFAOYSA-N
XLogP4.12
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile (CID 61446942) is 4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile is CC1CCCC(N(C)c2c(C#N)cnc3ccccc23)C1.
What is the InChIKey of 4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile?
The InChIKey is FGTSWMFWEQVULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-6-5-7-15(10-13)21(2)18-14(11-19)12-20-17-9-4-3-8-16(17)18/h3-4,8-9,12-13,15H,5-7,10H2,1-2H3.
What are the key properties of 4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile?
4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile has a molecular weight of 279.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(3-methylcyclohexyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 61446942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).