3-acetyl-1H-cinnolin-4-one

C10H8N2O2 — CID 3625144

IUPAC3-acetyl-1H-cinnolin-4-one
SMILESCC(=O)c1n[nH]c2ccccc2c1=O
InChIInChI=1S/C10H8N2O2/c1-6(13)9-10(14)7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H,11,14)
InChIKeyRZXNQPGHGIDBQX-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.13
Rot. Bonds1

About 3-acetyl-1H-cinnolin-4-one

3-acetyl-1H-cinnolin-4-one (PubChem CID 3625144) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-acetyl-1H-cinnolin-4-one.

Molecular Properties

Compound Name3-acetyl-1H-cinnolin-4-one
PubChem CID3625144
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-acetyl-1H-cinnolin-4-one
SMILESCC(=O)c1n[nH]c2ccccc2c1=O
InChIInChI=1S/C10H8N2O2/c1-6(13)9-10(14)7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H,11,14)
InChIKeyRZXNQPGHGIDBQX-UHFFFAOYSA-N
XLogP1.13
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1H-cinnolin-4-one?
The IUPAC name of 3-acetyl-1H-cinnolin-4-one (CID 3625144) is 3-acetyl-1H-cinnolin-4-one.
What is the SMILES notation for 3-acetyl-1H-cinnolin-4-one?
The canonical SMILES for 3-acetyl-1H-cinnolin-4-one is CC(=O)c1n[nH]c2ccccc2c1=O.
What is the InChIKey of 3-acetyl-1H-cinnolin-4-one?
The InChIKey is RZXNQPGHGIDBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-6(13)9-10(14)7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H,11,14).
What are the key properties of 3-acetyl-1H-cinnolin-4-one?
3-acetyl-1H-cinnolin-4-one has a molecular weight of 188.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1H-cinnolin-4-one is sourced from PubChem (CID 3625144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).