(4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine

C20H23NO — CID 164665951

IUPAC(4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
SMILESCOc1ccc2c(c1)N1CCCC[C@@H]1C[C@@H]2c1ccccc1
InChIInChI=1S/C20H23NO/c1-22-17-10-11-18-19(15-7-3-2-4-8-15)13-16-9-5-6-12-21(16)20(18)14-17/h2-4,7-8,10-11,14,16,19H,5-6,9,12-13H2,1H3/t16-,19-/m1/s1
InChIKeyZQKVBBSKGIXCTK-VQIMIIECSA-N
MW293.41 g/mol
LogP4.59
Rot. Bonds2

About (4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine

(4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine (PubChem CID 164665951) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine.

Molecular Properties

Compound Name(4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
PubChem CID164665951
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
SMILESCOc1ccc2c(c1)N1CCCC[C@@H]1C[C@@H]2c1ccccc1
InChIInChI=1S/C20H23NO/c1-22-17-10-11-18-19(15-7-3-2-4-8-15)13-16-9-5-6-12-21(16)20(18)14-17/h2-4,7-8,10-11,14,16,19H,5-6,9,12-13H2,1H3/t16-,19-/m1/s1
InChIKeyZQKVBBSKGIXCTK-VQIMIIECSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
The IUPAC name of (4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine (CID 164665951) is (4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine.
What is the SMILES notation for (4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
The canonical SMILES for (4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine is COc1ccc2c(c1)N1CCCC[C@@H]1C[C@@H]2c1ccccc1.
What is the InChIKey of (4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
The InChIKey is ZQKVBBSKGIXCTK-VQIMIIECSA-N. The full InChI is InChI=1S/C20H23NO/c1-22-17-10-11-18-19(15-7-3-2-4-8-15)13-16-9-5-6-12-21(16)20(18)14-17/h2-4,7-8,10-11,14,16,19H,5-6,9,12-13H2,1H3/t16-,19-/m1/s1.
What are the key properties of (4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
(4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine has a molecular weight of 293.41 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R)-9-methoxy-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine is sourced from PubChem (CID 164665951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).