GNF-Pf-3982

HCID 780973

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Basic information

CAS: 1207-74-5
Standard SMILES: C=CCc1c(C)[nH]c2ccccc2c1=O
InChIKey: DFPJMRVOZFONNQ-UHFFFAOYSA-N
Molecular formula: C13H13NO
Average molar mass: 199.25 g/mol
Monoisotopic mass: 199.09971404

Names & identifiers

Preferred name: GNF-Pf-3982
IUPAC: 2-methyl-3-prop-2-enyl-1H-quinolin-4-one

Names & synonyms

1207-74-5GNF-Pf-3982DTXSID90354746RefChem:346643DTXCID603058063-Allyl-2-methylquinolin-4(1H)-one54397-39-63-Allyl-2-methylquinolin-4-ol4-Quinolinol, 2-methyl-3-(2-propenyl)-2-methyl-3-prop-2-enyl-1H-quinolin-4-oneCambridge id 5794628Oprea1_085239

Show more names

Oprea1_141440CHEMBL6079753-allyl-2-methyl-4-quinolinolSCHEMBL32659739HMS1681O052-methyl-3-allyl-4-hydroxyquinolineMMV006913NSC766589

Database identifiers

CAS: 1207-74-5
PubChem CID: 780973
DTXSID: DTXSID90354746
ChEMBL: CHEMBL607975
Nikkaji: J2.792.868D

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 316

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