3-cyclohexylquinoline-6-carbonitrile

C16H16N2 — CID 105497962

IUPAC3-cyclohexylquinoline-6-carbonitrile
SMILESN#Cc1ccc2ncc(C3CCCCC3)cc2c1
InChIInChI=1S/C16H16N2/c17-10-12-6-7-16-14(8-12)9-15(11-18-16)13-4-2-1-3-5-13/h6-9,11,13H,1-5H2
InChIKeyGVMAQOSFJYZPAI-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.15
Rot. Bonds1

About 3-cyclohexylquinoline-6-carbonitrile

3-cyclohexylquinoline-6-carbonitrile (PubChem CID 105497962) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-cyclohexylquinoline-6-carbonitrile.

Molecular Properties

Compound Name3-cyclohexylquinoline-6-carbonitrile
PubChem CID105497962
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-cyclohexylquinoline-6-carbonitrile
SMILESN#Cc1ccc2ncc(C3CCCCC3)cc2c1
InChIInChI=1S/C16H16N2/c17-10-12-6-7-16-14(8-12)9-15(11-18-16)13-4-2-1-3-5-13/h6-9,11,13H,1-5H2
InChIKeyGVMAQOSFJYZPAI-UHFFFAOYSA-N
XLogP4.15
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23082042
2-cyclooctyl-3H-benzimidazole-5-carbonitrile
CID 79004189
6-(chloromethyl)-3-cyclopropylquinoline
CID 134178572
2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile
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6-cyclohexylphenanthridine-8-carbonitrile
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6-pyrrolidin-1-ylquinoline-3-carbonitrile
CID 105480696
2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine
CID 170013133
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
CID 65040307
2-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567152
2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040645
4-(5-cyclopropyl-2-pyridinyl)benzonitrile
CID 138566548
6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylquinoline-6-carbonitrile?
The IUPAC name of 3-cyclohexylquinoline-6-carbonitrile (CID 105497962) is 3-cyclohexylquinoline-6-carbonitrile.
What is the SMILES notation for 3-cyclohexylquinoline-6-carbonitrile?
The canonical SMILES for 3-cyclohexylquinoline-6-carbonitrile is N#Cc1ccc2ncc(C3CCCCC3)cc2c1.
What is the InChIKey of 3-cyclohexylquinoline-6-carbonitrile?
The InChIKey is GVMAQOSFJYZPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c17-10-12-6-7-16-14(8-12)9-15(11-18-16)13-4-2-1-3-5-13/h6-9,11,13H,1-5H2.
What are the key properties of 3-cyclohexylquinoline-6-carbonitrile?
3-cyclohexylquinoline-6-carbonitrile has a molecular weight of 236.32 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylquinoline-6-carbonitrile is sourced from PubChem (CID 105497962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).