3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide

C17H18N4O3 — CID 91632641

IUPAC3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCc3n[nH]c(=O)cc3C2)c1
InChIInChI=1S/C17H18N4O3/c1-10(22)18-13-4-2-3-11(7-13)17(24)19-14-5-6-15-12(8-14)9-16(23)21-20-15/h2-4,7,9,14H,5-6,8H2,1H3,(H,18,22)(H,19,24)(H,21,23)
InChIKeyIQECTICTCNJDOC-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.02
Rot. Bonds3

About 3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide

3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide (PubChem CID 91632641) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide
PubChem CID91632641
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCc3n[nH]c(=O)cc3C2)c1
InChIInChI=1S/C17H18N4O3/c1-10(22)18-13-4-2-3-11(7-13)17(24)19-14-5-6-15-12(8-14)9-16(23)21-20-15/h2-4,7,9,14H,5-6,8H2,1H3,(H,18,22)(H,19,24)(H,21,23)
InChIKeyIQECTICTCNJDOC-UHFFFAOYSA-N
XLogP1.02
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide 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

1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide
CID 91632637
5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide
CID 129417338
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91632624
5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide
CID 129417307
5-chloro-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide
CID 129417306
2-cyclohexyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-thiophen-2-ylacetamide
CID 167866208
formic acid;3-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 171708438
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981
3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide
CID 110746066
N-(2-oxo-5,6-dihydro-3H-benzo[f]cinnolin-9-yl)acetamide
CID 10244077
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide?
The IUPAC name of 3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide (CID 91632641) is 3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide.
What is the SMILES notation for 3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide?
The canonical SMILES for 3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide is CC(=O)Nc1cccc(C(=O)NC2CCc3n[nH]c(=O)cc3C2)c1.
What is the InChIKey of 3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide?
The InChIKey is IQECTICTCNJDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10(22)18-13-4-2-3-11(7-13)17(24)19-14-5-6-15-12(8-14)9-16(23)21-20-15/h2-4,7,9,14H,5-6,8H2,1H3,(H,18,22)(H,19,24)(H,21,23).
What are the key properties of 3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide?
3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide has a molecular weight of 326.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide is sourced from PubChem (CID 91632641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).