3-Heptyl-2-methyl-1H-quinolin-4-one

HCID 290702

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Basic information

CAS: 36970-34-0
Standard SMILES: CCCCCCCc1c(C)[nH]c2ccccc2c1=O
InChIKey: HJFZIOAIPXNRBX-UHFFFAOYSA-N
Molecular formula: C17H23NO
Average molar mass: 257.37 g/mol
Monoisotopic mass: 257.17796436

Names & identifiers

Preferred name: 3-Heptyl-2-methyl-1H-quinolin-4-one
IUPAC: 3-heptyl-2-methyl-1H-quinolin-4-one

Names & synonyms

3-Heptyl-2-methyl-1H-quinolin-4-oneTCMDC-13742536970-34-0NSC154840CHEMBL529769DTXSID10958144HJFZIOAIPXNRBX-UHFFFAOYSA-N3-Heptyl-2-methylquinolin-4(1H)-oneNSC-1548403-Heptyl-2-methyl-4(1H)-quinolinone #DS-004842

Database identifiers

CAS: 36970-34-0
PubChem CID: 290702
DTXSID: DTXSID10958144
ChEMBL: CHEMBL529769

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 345

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