6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline

C21H17Cl2N — CID 134109173

IUPAC6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Cl)c2c(c1)C(c1ccccc1)CC(c1ccccc1)N2
InChIInChI=1S/C21H17Cl2N/c22-16-11-18-17(14-7-3-1-4-8-14)13-20(15-9-5-2-6-10-15)24-21(18)19(23)12-16/h1-12,17,20,24H,13H2
InChIKeySTNRICXKBXQNLE-UHFFFAOYSA-N
MW354.28 g/mol
LogP6.68
Rot. Bonds2

About 6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline

6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 134109173) has the molecular formula C21H17Cl2N and a molecular weight of 354.28 g/mol. Its IUPAC name is 6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline
PubChem CID134109173
Molecular FormulaC21H17Cl2N
Molecular Weight354.28 g/mol
Exact Mass353.07
IUPAC Name6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Cl)c2c(c1)C(c1ccccc1)CC(c1ccccc1)N2
InChIInChI=1S/C21H17Cl2N/c22-16-11-18-17(14-7-3-1-4-8-14)13-20(15-9-5-2-6-10-15)24-21(18)19(23)12-16/h1-12,17,20,24H,13H2
InChIKeySTNRICXKBXQNLE-UHFFFAOYSA-N
XLogP6.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.28
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline (CID 134109173) is 6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline is Clc1cc(Cl)c2c(c1)C(c1ccccc1)CC(c1ccccc1)N2.
What is the InChIKey of 6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is STNRICXKBXQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N/c22-16-11-18-17(14-7-3-1-4-8-14)13-20(15-9-5-2-6-10-15)24-21(18)19(23)12-16/h1-12,17,20,24H,13H2.
What are the key properties of 6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline?
6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 354.28 g/mol, XLogP of 6.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 134109173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).