(4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one

C24H27NO6 — CID 7094083

IUPAC(4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
SMILESCOc1cc2c(cc1OC)C1=CC(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)N1CC2
InChIInChI=1S/C24H27NO6/c1-27-20-8-14-6-7-25-18(11-16(26)12-19(25)17(14)13-21(20)28-2)15-9-22(29-3)24(31-5)23(10-15)30-4/h8-10,12-13,18H,6-7,11H2,1-5H3/t18-/m1/s1
InChIKeyXTWOQEJDTAFRFV-GOSISDBHSA-N
MW425.48 g/mol
LogP3.64
Rot. Bonds6

About (4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one

(4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one (PubChem CID 7094083) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is (4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name(4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
PubChem CID7094083
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name(4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
SMILESCOc1cc2c(cc1OC)C1=CC(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)N1CC2
InChIInChI=1S/C24H27NO6/c1-27-20-8-14-6-7-25-18(11-16(26)12-19(25)17(14)13-21(20)28-2)15-9-22(29-3)24(31-5)23(10-15)30-4/h8-10,12-13,18H,6-7,11H2,1-5H3/t18-/m1/s1
InChIKeyXTWOQEJDTAFRFV-GOSISDBHSA-N
XLogP3.64
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one with MolForge

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Related Compounds

(11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one
CID 933599
1-(3,4,5-trimethoxyphenyl)-1,4,5,9b-tetrahydroazeto[2,1-a]isoquinolin-2-one
CID 177473444
11-hydroxy-2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 44606417
(13aR)-2,3-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 821470
9,10-dimethoxy-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3379225
(11bS)-9,10-dimethoxy-3-methyl-1,2,6,7,11b,12-hexahydroisoquinolino[2,1-a]quinolin-13-one
CID 95560155
(1Z)-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydroisoquinoline-2-carbaldehyde
CID 162352401
2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one
CID 4909570
2,10-dihydroxy-3,9,11-trimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 44606418
(1R)-4,5-dimethoxy-15-methyl-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
CID 1481776
9,10-dimethoxy-3-(2-methylpropyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
CID 139025676
1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
CID 101438362

Frequently Asked Questions

What is the IUPAC name of (4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one?
The IUPAC name of (4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one (CID 7094083) is (4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for (4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one?
The canonical SMILES for (4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one is COc1cc2c(cc1OC)C1=CC(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)N1CC2.
What is the InChIKey of (4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one?
The InChIKey is XTWOQEJDTAFRFV-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27NO6/c1-27-20-8-14-6-7-25-18(11-16(26)12-19(25)17(14)13-21(20)28-2)15-9-22(29-3)24(31-5)23(10-15)30-4/h8-10,12-13,18H,6-7,11H2,1-5H3/t18-/m1/s1.
What are the key properties of (4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one?
(4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one has a molecular weight of 425.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 7094083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).