3-Methyl-4-cinnolinol

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Basic information

CAS: 7317-82-0
Standard SMILES: Cc1n[nH]c2ccccc2c1=O
InChIKey: YVRPDIPJOFBYAL-UHFFFAOYSA-N
Molecular formula: C9H8N2O
Average molar mass: 160.17 g/mol
Monoisotopic mass: 160.06366288

Names & identifiers

Preferred name: 3-Methyl-4-cinnolinol
IUPAC: 3-methyl-1H-cinnolin-4-one

Names & synonyms

3-Methyl-4-cinnolinol7317-82-0V1G7II8M3GNSC-85323NSC 85323UNII-V1G7II8M3GDTXSID902234234-CINNOLINOL, 3-METHYL-4(3H)-CINNOLINONE, 3-METHYL-RefChem:94767DTXCID901459143-methylcinnolin-4(1h)-one

Show more names

3-METHYLCINNOLIN-4-OLNSC85323MLS002694617NCIStruc1_000179NCIStruc2_000177SCHEMBL6480580CHEMBL1741880SCHEMBL22124938

Database identifiers

CAS: 7317-82-0
PubChem CID: 257352
DTXSID: DTXSID90223423
ChEMBL: CHEMBL1741880
UNII: V1G7II8M3G

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 235

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Compound notes

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