N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane

C20H20N2O2 — CID 161338496

IUPACN-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
SMILESC.CC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1C
InChIInChI=1S/C19H16N2O2.CH4/c1-12-11-15(8-9-16(12)13(2)22)20-19(23)18-10-7-14-5-3-4-6-17(14)21-18;/h3-11H,1-2H3,(H,20,23);1H4
InChIKeyVMIWVWKPWXRAFU-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.63
Rot. Bonds3

About N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane

N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane (PubChem CID 161338496) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane.

Molecular Properties

Compound NameN-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
PubChem CID161338496
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
SMILESC.CC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1C
InChIInChI=1S/C19H16N2O2.CH4/c1-12-11-15(8-9-16(12)13(2)22)20-19(23)18-10-7-14-5-3-4-6-17(14)21-18;/h3-11H,1-2H3,(H,20,23);1H4
InChIKeyVMIWVWKPWXRAFU-UHFFFAOYSA-N
XLogP4.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide
CID 9107051
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
CID 65435460
N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide
CID 121062115
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide
CID 39204506
N-(1-acetyl-2,3-dihydroindol-5-yl)quinoline-2-carboxamide
CID 17453567
N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide
CID 99702239
N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
CID 17410358
N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide
CID 33027080
N-(6-fluoro-3-pyridinyl)quinoline-2-carboxamide
CID 103789892
N-(4-methoxy-3-sulfamoylphenyl)quinoline-2-carboxamide
CID 4789220

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane?
The IUPAC name of N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane (CID 161338496) is N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane.
What is the SMILES notation for N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane?
The canonical SMILES for N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane is C.CC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1C.
What is the InChIKey of N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane?
The InChIKey is VMIWVWKPWXRAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2.CH4/c1-12-11-15(8-9-16(12)13(2)22)20-19(23)18-10-7-14-5-3-4-6-17(14)21-18;/h3-11H,1-2H3,(H,20,23);1H4.
What are the key properties of N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane?
N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane has a molecular weight of 320.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane is sourced from PubChem (CID 161338496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).