4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide

C20H20N2O2 — CID 51091615

IUPAC4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(=O)c3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C20H20N2O2/c1-12-8-13(2)16(14(3)9-12)11-21-20(24)18-10-19(23)15-6-4-5-7-17(15)22-18/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyBOYVNLYFELJMLE-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.38
Rot. Bonds3

About 4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide

4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide (PubChem CID 51091615) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide
PubChem CID51091615
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(=O)c3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C20H20N2O2/c1-12-8-13(2)16(14(3)9-12)11-21-20(24)18-10-19(23)15-6-4-5-7-17(15)22-18/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyBOYVNLYFELJMLE-UHFFFAOYSA-N
XLogP3.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
N,N-dimethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47120436
2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid
CID 79469166
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate
CID 154170770
N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 56601767
3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 60989084
N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide
CID 51098622
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31959852
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 154794418
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide?
The IUPAC name of 4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide (CID 51091615) is 4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(=O)c3ccccc3[nH]2)c(C)c1.
What is the InChIKey of 4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide?
The InChIKey is BOYVNLYFELJMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-8-13(2)16(14(3)9-12)11-21-20(24)18-10-19(23)15-6-4-5-7-17(15)22-18/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide?
4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide is sourced from PubChem (CID 51091615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).