4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide

C25H22N2O2 — CID 1417676

IUPAC4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H22N2O2/c1-17-7-11-19(12-8-17)25(29)27(22-13-9-18(2)10-14-22)16-21-15-20-5-3-4-6-23(20)26-24(21)28/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyVYCTTWHOXZESBO-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.99
Rot. Bonds4

About 4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide

4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1417676) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1417676
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H22N2O2/c1-17-7-11-19(12-8-17)25(29)27(22-13-9-18(2)10-14-22)16-21-15-20-5-3-4-6-23(20)26-24(21)28/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyVYCTTWHOXZESBO-UHFFFAOYSA-N
XLogP4.99
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1417676) is 4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is Cc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is VYCTTWHOXZESBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17-7-11-19(12-8-17)25(29)27(22-13-9-18(2)10-14-22)16-21-15-20-5-3-4-6-23(20)26-24(21)28/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1417676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).