5H-(1)Benzopyrano(4,3-c)pyrid-5-one, 1,2,3,4-tetrahydro-10-hydroxy-2-methyl-8-(1-methylhexyl)-, hydrochloride

HCID 5745895

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Basic information

CAS: 64050-26-6
Standard SMILES: CCCCCC(C)c1cc(O)c2c3c(c(=O)oc2c1)CCN(C)C3
InChIKey: SACAHFCNCXKWMN-UHFFFAOYSA-N
Molecular formula: C20H27NO3
Average molar mass: 329.4 g/mol
Monoisotopic mass: 329.19909372

Names & identifiers

Preferred name: 5H-(1)Benzopyrano(4,3-c)pyrid-5-one, 1,2,3,4-tetrahydro-10-hydroxy-2-methyl-8-(1-methylhexyl)-, hydrochloride
IUPAC: 8-heptan-2-yl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one

Names & synonyms

64050-26-65H-(1)Benzopyrano(4,3-c)pyrid-5-one, 1,2,3,4-tetrahydro-10-hydroxy-2-methyl-8-(1-methylhexyl)-, hydrochlorideRefChem:305114DTXSID409823918-(Heptan-2-yl)-10-hydroxy-2-methyl-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridin-5-one

Database identifiers

CAS: 64050-26-6
PubChem CID: 5745895
DTXSID: DTXSID40982391

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 501

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