4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide

C25H22N4O3 — CID 52702471

IUPAC4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC(=O)Cn3ncc(=O)c4ccccc43)c2)cc1
InChIInChI=1S/C25H22N4O3/c1-17-9-11-19(12-10-17)25(32)28-20-6-4-5-18(13-20)14-26-24(31)16-29-22-8-3-2-7-21(22)23(30)15-27-29/h2-13,15H,14,16H2,1H3,(H,26,31)(H,28,32)
InChIKeyDSUCOEBNUPSFDW-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.27
Rot. Bonds6

About 4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide

4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide (PubChem CID 52702471) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide
PubChem CID52702471
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC(=O)Cn3ncc(=O)c4ccccc43)c2)cc1
InChIInChI=1S/C25H22N4O3/c1-17-9-11-19(12-10-17)25(32)28-20-6-4-5-18(13-20)14-26-24(31)16-29-22-8-3-2-7-21(22)23(30)15-27-29/h2-13,15H,14,16H2,1H3,(H,26,31)(H,28,32)
InChIKeyDSUCOEBNUPSFDW-UHFFFAOYSA-N
XLogP3.27
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134008602
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55945386
2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134049978
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
ethyl 4-[[3-[(4-methylbenzoyl)amino]phenyl]methylamino]-4-oxobutanoate
CID 51121587
N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 87028673
4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55893772
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 86961728
4-methyl-N-[3-[[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]phenyl]benzamide
CID 55899658
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide (CID 52702471) is 4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(CNC(=O)Cn3ncc(=O)c4ccccc43)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide?
The InChIKey is DSUCOEBNUPSFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-17-9-11-19(12-10-17)25(32)28-20-6-4-5-18(13-20)14-26-24(31)16-29-22-8-3-2-7-21(22)23(30)15-27-29/h2-13,15H,14,16H2,1H3,(H,26,31)(H,28,32).
What are the key properties of 4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide?
4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide has a molecular weight of 426.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 52702471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).