N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide

C19H24N2O — CID 139938842

IUPACN-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide
SMILESCc1cc(C)c2cc(NC(=O)C3(C)CCCCC3)cnc2c1
InChIInChI=1S/C19H24N2O/c1-13-9-14(2)16-11-15(12-20-17(16)10-13)21-18(22)19(3)7-5-4-6-8-19/h9-12H,4-8H2,1-3H3,(H,21,22)
InChIKeyKKGSTFRNTLUXKR-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.76
Rot. Bonds2

About N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide

N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 139938842) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID139938842
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide
SMILESCc1cc(C)c2cc(NC(=O)C3(C)CCCCC3)cnc2c1
InChIInChI=1S/C19H24N2O/c1-13-9-14(2)16-11-15(12-20-17(16)10-13)21-18(22)19(3)7-5-4-6-8-19/h9-12H,4-8H2,1-3H3,(H,21,22)
InChIKeyKKGSTFRNTLUXKR-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide (CID 139938842) is N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide is Cc1cc(C)c2cc(NC(=O)C3(C)CCCCC3)cnc2c1.
What is the InChIKey of N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is KKGSTFRNTLUXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13-9-14(2)16-11-15(12-20-17(16)10-13)21-18(22)19(3)7-5-4-6-8-19/h9-12H,4-8H2,1-3H3,(H,21,22).
What are the key properties of N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide?
N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethylquinolin-3-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 139938842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).