9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate

C20H27N2O4- — CID 134090542

IUPAC9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate
SMILESCCCN(C)C(=O)C1=C([O-])CC2c3cc(OC)c(OC)cc3CCN2C1
InChIInChI=1S/C20H28N2O4/c1-5-7-21(2)20(24)15-12-22-8-6-13-9-18(25-3)19(26-4)10-14(13)16(22)11-17(15)23/h9-10,16,23H,5-8,11-12H2,1-4H3/p-1
InChIKeyVIORDAQGUDLWJX-UHFFFAOYSA-M
MW359.45 g/mol
LogP1.49
Rot. Bonds5

About 9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate

9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate (PubChem CID 134090542) has the molecular formula C20H27N2O4- and a molecular weight of 359.45 g/mol. Its IUPAC name is 9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate.

Molecular Properties

Compound Name9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate
PubChem CID134090542
Molecular FormulaC20H27N2O4-
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate
SMILESCCCN(C)C(=O)C1=C([O-])CC2c3cc(OC)c(OC)cc3CCN2C1
InChIInChI=1S/C20H28N2O4/c1-5-7-21(2)20(24)15-12-22-8-6-13-9-18(25-3)19(26-4)10-14(13)16(22)11-17(15)23/h9-10,16,23H,5-8,11-12H2,1-4H3/p-1
InChIKeyVIORDAQGUDLWJX-UHFFFAOYSA-M
XLogP1.49
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate with MolForge

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Related Compounds

ethyl 2-amino-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine-3-carboxylate
CID 59687294
(3,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-yl) ethanesulfonate
CID 145042706
(13aS)-2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol
CID 46185069
(2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid;2,3,9,10,11-pentamethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 16637698
methyl 2-imino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-3-carboxylate
CID 90766204
(2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-yl) cyclohexanecarboxylate
CID 164619697
(10-hydroxy-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-yl)oxy methyl carbonate
CID 143896073
(13aR)-12-bromo-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 14138280
(3S,11bS)-3-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 66726063
[2-(2-amino-3-methylbutanoyl)oxy-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-yl] 2-amino-3-methylbutanoate
CID 68953622
(3R,11bR)-3-(4-fluorobutyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 140537310
(3S,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 7059638

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate?
The IUPAC name of 9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate (CID 134090542) is 9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate.
What is the SMILES notation for 9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate?
The canonical SMILES for 9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate is CCCN(C)C(=O)C1=C([O-])CC2c3cc(OC)c(OC)cc3CCN2C1.
What is the InChIKey of 9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate?
The InChIKey is VIORDAQGUDLWJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H28N2O4/c1-5-7-21(2)20(24)15-12-22-8-6-13-9-18(25-3)19(26-4)10-14(13)16(22)11-17(15)23/h9-10,16,23H,5-8,11-12H2,1-4H3/p-1.
What are the key properties of 9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate?
9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate has a molecular weight of 359.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-3-[methyl(propyl)carbamoyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-olate is sourced from PubChem (CID 134090542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).