8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one

C18H23NO4 — CID 131846505

IUPAC8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one
SMILESCOc1cc2c(cc1OC)C1N(CC2)C(=O)OC12CCCCC2
InChIInChI=1S/C18H23NO4/c1-21-14-10-12-6-9-19-16(13(12)11-15(14)22-2)18(23-17(19)20)7-4-3-5-8-18/h10-11,16H,3-9H2,1-2H3
InChIKeyXFVLZCQYKUUNKZ-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.46
Rot. Bonds2

About 8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one

8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one (PubChem CID 131846505) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one.

Molecular Properties

Compound Name8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one
PubChem CID131846505
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one
SMILESCOc1cc2c(cc1OC)C1N(CC2)C(=O)OC12CCCCC2
InChIInChI=1S/C18H23NO4/c1-21-14-10-12-6-9-19-16(13(12)11-15(14)22-2)18(23-17(19)20)7-4-3-5-8-18/h10-11,16H,3-9H2,1-2H3
InChIKeyXFVLZCQYKUUNKZ-UHFFFAOYSA-N
XLogP3.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one with MolForge

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Related Compounds

1,1-diethyl-8,9-dimethoxy-6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinolin-3-one
CID 45122530
9,10-dimethoxyspiro[3,6,7,11b-tetrahydro-2H-benzo[a]quinolizine-1,2'-cyclohexane]-1',3',4-trione
CID 24867671
methyl (12aR,12bR)-2,3-dimethoxy-8-oxo-5,6,10,11,12,12b-hexahydroisoindolo[1,2-a]isoquinoline-12a-carboxylate
CID 11337252
9,10-dimethoxy-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3379225
(11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one
CID 933599
9,10-dimethoxy-3,3-dimethyl-4,6,7,11b,12,13-hexahydro-2H-isoquinolino[2,1-a]quinolin-1-one
CID 3703210
9,10-dimethoxy-12-methyl-1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-one
CID 131880160
(1S,11R)-4,5-dimethoxy-10,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-16-one
CID 10990303
(2S,6R)-15,16-dimethoxy-10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-trien-4-one
CID 139039033
(13aR)-2,3-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 821470
(1R,12S)-4,5-dimethoxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,11(15)-tetraen-14-one
CID 7078071
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one?
The IUPAC name of 8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one (CID 131846505) is 8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one.
What is the SMILES notation for 8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one?
The canonical SMILES for 8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one is COc1cc2c(cc1OC)C1N(CC2)C(=O)OC12CCCCC2.
What is the InChIKey of 8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one?
The InChIKey is XFVLZCQYKUUNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-21-14-10-12-6-9-19-16(13(12)11-15(14)22-2)18(23-17(19)20)7-4-3-5-8-18/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one?
8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one has a molecular weight of 317.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxyspiro[6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinoline-1,1'-cyclohexane]-3-one is sourced from PubChem (CID 131846505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).