2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide

C21H28N2O — CID 3184551

IUPAC2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
SMILESCCc1nc2ccc(C)cc2c(C(=O)NC2CCCCC2C)c1C
InChIInChI=1S/C21H28N2O/c1-5-17-15(4)20(16-12-13(2)10-11-19(16)22-17)21(24)23-18-9-7-6-8-14(18)3/h10-12,14,18H,5-9H2,1-4H3,(H,23,24)
InChIKeyCDOYQXQJVXWBCL-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.72
Rot. Bonds3

About 2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide

2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide (PubChem CID 3184551) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
PubChem CID3184551
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
SMILESCCc1nc2ccc(C)cc2c(C(=O)NC2CCCCC2C)c1C
InChIInChI=1S/C21H28N2O/c1-5-17-15(4)20(16-12-13(2)10-11-19(16)22-17)21(24)23-18-9-7-6-8-14(18)3/h10-12,14,18H,5-9H2,1-4H3,(H,23,24)
InChIKeyCDOYQXQJVXWBCL-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The IUPAC name of 2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide (CID 3184551) is 2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The canonical SMILES for 2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide is CCc1nc2ccc(C)cc2c(C(=O)NC2CCCCC2C)c1C.
What is the InChIKey of 2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The InChIKey is CDOYQXQJVXWBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-5-17-15(4)20(16-12-13(2)10-11-19(16)22-17)21(24)23-18-9-7-6-8-14(18)3/h10-12,14,18H,5-9H2,1-4H3,(H,23,24).
What are the key properties of 2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide is sourced from PubChem (CID 3184551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).