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

C19H21N — CID 164666156

IUPAC(4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
SMILESc1ccc([C@H]2C[C@@H]3CCCCN3c3ccccc32)cc1
InChIInChI=1S/C19H21N/c1-2-8-15(9-3-1)18-14-16-10-6-7-13-20(16)19-12-5-4-11-17(18)19/h1-5,8-9,11-12,16,18H,6-7,10,13-14H2/t16-,18+/m0/s1
InChIKeyXTWIMLUDUPRIBT-FUHWJXTLSA-N
MW263.38 g/mol
LogP4.58
Rot. Bonds1

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

(4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine (PubChem CID 164666156) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine.

Molecular Properties

Compound Name(4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
PubChem CID164666156
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
SMILESc1ccc([C@H]2C[C@@H]3CCCCN3c3ccccc32)cc1
InChIInChI=1S/C19H21N/c1-2-8-15(9-3-1)18-14-16-10-6-7-13-20(16)19-12-5-4-11-17(18)19/h1-5,8-9,11-12,16,18H,6-7,10,13-14H2/t16-,18+/m0/s1
InChIKeyXTWIMLUDUPRIBT-FUHWJXTLSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
The IUPAC name of (4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine (CID 164666156) is (4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine.
What is the SMILES notation for (4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
The canonical SMILES for (4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine is c1ccc([C@H]2C[C@@H]3CCCCN3c3ccccc32)cc1.
What is the InChIKey of (4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
The InChIKey is XTWIMLUDUPRIBT-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H21N/c1-2-8-15(9-3-1)18-14-16-10-6-7-13-20(16)19-12-5-4-11-17(18)19/h1-5,8-9,11-12,16,18H,6-7,10,13-14H2/t16-,18+/m0/s1.
What are the key properties of (4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
(4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine has a molecular weight of 263.38 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6R)-6-phenyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine is sourced from PubChem (CID 164666156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).