6-chloro-2-phenyl-8-(2-phenylethyl)quinoline

C23H18ClN — CID 177460370

IUPAC6-chloro-2-phenyl-8-(2-phenylethyl)quinoline
SMILESClc1cc(CCc2ccccc2)c2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C23H18ClN/c24-21-15-19(12-11-17-7-3-1-4-8-17)23-20(16-21)13-14-22(25-23)18-9-5-2-6-10-18/h1-10,13-16H,11-12H2
InChIKeyXTFYOFJSAWGLEV-UHFFFAOYSA-N
MW343.86 g/mol
LogP6.34
Rot. Bonds4

About 6-chloro-2-phenyl-8-(2-phenylethyl)quinoline

6-chloro-2-phenyl-8-(2-phenylethyl)quinoline (PubChem CID 177460370) has the molecular formula C23H18ClN and a molecular weight of 343.86 g/mol. Its IUPAC name is 6-chloro-2-phenyl-8-(2-phenylethyl)quinoline.

Molecular Properties

Compound Name6-chloro-2-phenyl-8-(2-phenylethyl)quinoline
PubChem CID177460370
Molecular FormulaC23H18ClN
Molecular Weight343.86 g/mol
Exact Mass343.11
IUPAC Name6-chloro-2-phenyl-8-(2-phenylethyl)quinoline
SMILESClc1cc(CCc2ccccc2)c2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C23H18ClN/c24-21-15-19(12-11-17-7-3-1-4-8-17)23-20(16-21)13-14-22(25-23)18-9-5-2-6-10-18/h1-10,13-16H,11-12H2
InChIKeyXTFYOFJSAWGLEV-UHFFFAOYSA-N
XLogP6.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.86
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-8-(2-phenylethyl)quinoline?
The IUPAC name of 6-chloro-2-phenyl-8-(2-phenylethyl)quinoline (CID 177460370) is 6-chloro-2-phenyl-8-(2-phenylethyl)quinoline.
What is the SMILES notation for 6-chloro-2-phenyl-8-(2-phenylethyl)quinoline?
The canonical SMILES for 6-chloro-2-phenyl-8-(2-phenylethyl)quinoline is Clc1cc(CCc2ccccc2)c2nc(-c3ccccc3)ccc2c1.
What is the InChIKey of 6-chloro-2-phenyl-8-(2-phenylethyl)quinoline?
The InChIKey is XTFYOFJSAWGLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN/c24-21-15-19(12-11-17-7-3-1-4-8-17)23-20(16-21)13-14-22(25-23)18-9-5-2-6-10-18/h1-10,13-16H,11-12H2.
What are the key properties of 6-chloro-2-phenyl-8-(2-phenylethyl)quinoline?
6-chloro-2-phenyl-8-(2-phenylethyl)quinoline has a molecular weight of 343.86 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-8-(2-phenylethyl)quinoline is sourced from PubChem (CID 177460370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).