N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide

C19H24N2O — CID 5002006

IUPACN-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC(C)C2C)c2ccccc2n1
InChIInChI=1S/C19H24N2O/c1-12-7-6-10-17(14(12)3)21-19(22)16-11-13(2)20-18-9-5-4-8-15(16)18/h4-5,8-9,11-12,14,17H,6-7,10H2,1-3H3,(H,21,22)
InChIKeyBRNOYXMDJHSFEV-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.10
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide

N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide (PubChem CID 5002006) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide
PubChem CID5002006
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC(C)C2C)c2ccccc2n1
InChIInChI=1S/C19H24N2O/c1-12-7-6-10-17(14(12)3)21-19(22)16-11-13(2)20-18-9-5-4-8-15(16)18/h4-5,8-9,11-12,14,17H,6-7,10H2,1-3H3,(H,21,22)
InChIKeyBRNOYXMDJHSFEV-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide (CID 5002006) is N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC2CCCC(C)C2C)c2ccccc2n1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide?
The InChIKey is BRNOYXMDJHSFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-12-7-6-10-17(14(12)3)21-19(22)16-11-13(2)20-18-9-5-4-8-15(16)18/h4-5,8-9,11-12,14,17H,6-7,10H2,1-3H3,(H,21,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 5002006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).