3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile

C20H22N2O2 — CID 11347844

IUPAC3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1C#N
InChIInChI=1S/C20H22N2O2/c1-3-13-10-16-11-15(6-9-18(16)22-19(13)12-21)20(23)14-4-7-17(24-2)8-5-14/h6,9-11,14,17H,3-5,7-8H2,1-2H3
InChIKeyFOYPNVLAYSNOIF-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.06
Rot. Bonds4

About 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile

3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile (PubChem CID 11347844) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile.

Molecular Properties

Compound Name3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile
PubChem CID11347844
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1C#N
InChIInChI=1S/C20H22N2O2/c1-3-13-10-16-11-15(6-9-18(16)22-19(13)12-21)20(23)14-4-7-17(24-2)8-5-14/h6,9-11,14,17H,3-5,7-8H2,1-2H3
InChIKeyFOYPNVLAYSNOIF-UHFFFAOYSA-N
XLogP4.06
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile?
The IUPAC name of 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile (CID 11347844) is 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile.
What is the SMILES notation for 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile?
The canonical SMILES for 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile is CCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1C#N.
What is the InChIKey of 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile?
The InChIKey is FOYPNVLAYSNOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-13-10-16-11-15(6-9-18(16)22-19(13)12-21)20(23)14-4-7-17(24-2)8-5-14/h6,9-11,14,17H,3-5,7-8H2,1-2H3.
What are the key properties of 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile?
3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(4-methoxycyclohexanecarbonyl)quinoline-2-carbonitrile is sourced from PubChem (CID 11347844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).