N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide

C19H18N2O — CID 856048

IUPACN-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C)nc3ccccc23)c1
InChIInChI=1S/C19H18N2O/c1-12-8-13(2)10-15(9-12)21-19(22)17-11-14(3)20-18-7-5-4-6-16(17)18/h4-11H,1-3H3,(H,21,22)
InChIKeyAIVCBAMBAFYTKR-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.41
Rot. Bonds2

About N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide

N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide (PubChem CID 856048) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide
PubChem CID856048
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C)nc3ccccc23)c1
InChIInChI=1S/C19H18N2O/c1-12-8-13(2)10-15(9-12)21-19(22)17-11-14(3)20-18-7-5-4-6-16(17)18/h4-11H,1-3H3,(H,21,22)
InChIKeyAIVCBAMBAFYTKR-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide (CID 856048) is N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(C)nc3ccccc23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is AIVCBAMBAFYTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-12-8-13(2)10-15(9-12)21-19(22)17-11-14(3)20-18-7-5-4-6-16(17)18/h4-11H,1-3H3,(H,21,22).
What are the key properties of N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide?
N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 856048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).