2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide

C18H16N2O — CID 830451

IUPAC2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3nc2C)c1
InChIInChI=1S/C18H16N2O/c1-12-6-5-8-15(10-12)20-18(21)16-11-14-7-3-4-9-17(14)19-13(16)2/h3-11H,1-2H3,(H,20,21)
InChIKeyCSGQKWHLKWFLSQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.10
Rot. Bonds2

About 2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide

2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide (PubChem CID 830451) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide
PubChem CID830451
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3nc2C)c1
InChIInChI=1S/C18H16N2O/c1-12-6-5-8-15(10-12)20-18(21)16-11-14-7-3-4-9-17(14)19-13(16)2/h3-11H,1-2H3,(H,20,21)
InChIKeyCSGQKWHLKWFLSQ-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide (CID 830451) is 2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide is Cc1cccc(NC(=O)c2cc3ccccc3nc2C)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide?
The InChIKey is CSGQKWHLKWFLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-6-5-8-15(10-12)20-18(21)16-11-14-7-3-4-9-17(14)19-13(16)2/h3-11H,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide?
2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide has a molecular weight of 276.34 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 2-methyl-N-(3-methylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 830451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).