N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C18H24N2O2 — CID 20967848

IUPACN-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC1CCCC(NC(=O)C2CC(=O)Nc3ccccc32)C1C
InChIInChI=1S/C18H24N2O2/c1-11-6-5-9-15(12(11)2)20-18(22)14-10-17(21)19-16-8-4-3-7-13(14)16/h3-4,7-8,11-12,14-15H,5-6,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUCPUOGVKKIOFRS-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.05
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 20967848) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID20967848
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC1CCCC(NC(=O)C2CC(=O)Nc3ccccc32)C1C
InChIInChI=1S/C18H24N2O2/c1-11-6-5-9-15(12(11)2)20-18(22)14-10-17(21)19-16-8-4-3-7-13(14)16/h3-4,7-8,11-12,14-15H,5-6,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUCPUOGVKKIOFRS-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 20967848) is N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC1CCCC(NC(=O)C2CC(=O)Nc3ccccc32)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is UCPUOGVKKIOFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-6-5-9-15(12(11)2)20-18(22)14-10-17(21)19-16-8-4-3-7-13(14)16/h3-4,7-8,11-12,14-15H,5-6,9-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 20967848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).