N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide

C23H25N3O — CID 4072144

IUPACN-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC1CCCC(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)C1C
InChIInChI=1S/C23H25N3O/c1-15-6-5-9-20(16(15)2)26-23(27)19-14-22(17-10-12-24-13-11-17)25-21-8-4-3-7-18(19)21/h3-4,7-8,10-16,20H,5-6,9H2,1-2H3,(H,26,27)
InChIKeyJFSLYLPYWICGFK-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.85
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 4072144) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID4072144
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC1CCCC(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)C1C
InChIInChI=1S/C23H25N3O/c1-15-6-5-9-20(16(15)2)26-23(27)19-14-22(17-10-12-24-13-11-17)25-21-8-4-3-7-18(19)21/h3-4,7-8,10-16,20H,5-6,9H2,1-2H3,(H,26,27)
InChIKeyJFSLYLPYWICGFK-UHFFFAOYSA-N
XLogP4.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 4072144) is N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide is CC1CCCC(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is JFSLYLPYWICGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15-6-5-9-20(16(15)2)26-23(27)19-14-22(17-10-12-24-13-11-17)25-21-8-4-3-7-18(19)21/h3-4,7-8,10-16,20H,5-6,9H2,1-2H3,(H,26,27).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 4072144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).