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

C18H16N4O3 — CID 134008602

IUPACN-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1
InChIInChI=1S/C18H16N4O3/c1-19-18(25)12-5-4-6-13(9-12)21-17(24)11-22-15-8-3-2-7-14(15)16(23)10-20-22/h2-10H,11H2,1H3,(H,19,25)(H,21,24)
InChIKeyKPLWVPQZYZQKTD-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.39
Rot. Bonds4

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

N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide (PubChem CID 134008602) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
PubChem CID134008602
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1
InChIInChI=1S/C18H16N4O3/c1-19-18(25)12-5-4-6-13(9-12)21-17(24)11-22-15-8-3-2-7-14(15)16(23)10-20-22/h2-10H,11H2,1H3,(H,19,25)(H,21,24)
InChIKeyKPLWVPQZYZQKTD-UHFFFAOYSA-N
XLogP1.39
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 55415120
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide
CID 52702471
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-methyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzamide
CID 18146174
N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55879347
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 86961728
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55957035
N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 75453687

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide (CID 134008602) is N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1.
What is the InChIKey of N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide?
The InChIKey is KPLWVPQZYZQKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-19-18(25)12-5-4-6-13(9-12)21-17(24)11-22-15-8-3-2-7-14(15)16(23)10-20-22/h2-10H,11H2,1H3,(H,19,25)(H,21,24).
What are the key properties of N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide?
N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide has a molecular weight of 336.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 134008602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).