(3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine

C21H22ClN — CID 70544791

IUPAC(3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine
SMILESClc1ccccc1[C@@H]1CCC2=CC(c3ccccc3)CCN2C1
InChIInChI=1S/C21H22ClN/c22-21-9-5-4-8-20(21)18-10-11-19-14-17(12-13-23(19)15-18)16-6-2-1-3-7-16/h1-9,14,17-18H,10-13,15H2/t17?,18-/m1/s1
InChIKeyAWSQRNDPAQBNTQ-QRWMCTBCSA-N
MW323.87 g/mol
LogP5.59
Rot. Bonds2

About (3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine

(3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine (PubChem CID 70544791) has the molecular formula C21H22ClN and a molecular weight of 323.87 g/mol. Its IUPAC name is (3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine.

Molecular Properties

Compound Name(3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine
PubChem CID70544791
Molecular FormulaC21H22ClN
Molecular Weight323.87 g/mol
Exact Mass323.14
IUPAC Name(3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine
SMILESClc1ccccc1[C@@H]1CCC2=CC(c3ccccc3)CCN2C1
InChIInChI=1S/C21H22ClN/c22-21-9-5-4-8-20(21)18-10-11-19-14-17(12-13-23(19)15-18)16-6-2-1-3-7-16/h1-9,14,17-18H,10-13,15H2/t17?,18-/m1/s1
InChIKeyAWSQRNDPAQBNTQ-QRWMCTBCSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.87
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine?
The IUPAC name of (3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine (CID 70544791) is (3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine.
What is the SMILES notation for (3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine?
The canonical SMILES for (3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine is Clc1ccccc1[C@@H]1CCC2=CC(c3ccccc3)CCN2C1.
What is the InChIKey of (3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine?
The InChIKey is AWSQRNDPAQBNTQ-QRWMCTBCSA-N. The full InChI is InChI=1S/C21H22ClN/c22-21-9-5-4-8-20(21)18-10-11-19-14-17(12-13-23(19)15-18)16-6-2-1-3-7-16/h1-9,14,17-18H,10-13,15H2/t17?,18-/m1/s1.
What are the key properties of (3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine?
(3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine has a molecular weight of 323.87 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chlorophenyl)-8-phenyl-2,3,4,6,7,8-hexahydro-1H-quinolizine is sourced from PubChem (CID 70544791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).