3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline

C29H19ClN2 — CID 2537934

IUPAC3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline
SMILESClc1c(-c2c(-c3ccccc3)[nH]c3ccccc23)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C29H19ClN2/c30-27-25(19-11-3-1-4-12-19)21-15-7-9-17-23(21)32-29(27)26-22-16-8-10-18-24(22)31-28(26)20-13-5-2-6-14-20/h1-18,31H
InChIKeyVFKMXLAXGZYYJB-UHFFFAOYSA-N
MW430.94 g/mol
LogP8.37
Rot. Bonds3

About 3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline

3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline (PubChem CID 2537934) has the molecular formula C29H19ClN2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline
PubChem CID2537934
Molecular FormulaC29H19ClN2
Molecular Weight430.94 g/mol
Exact Mass430.12
IUPAC Name3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline
SMILESClc1c(-c2c(-c3ccccc3)[nH]c3ccccc23)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C29H19ClN2/c30-27-25(19-11-3-1-4-12-19)21-15-7-9-17-23(21)32-29(27)26-22-16-8-10-18-24(22)31-28(26)20-13-5-2-6-14-20/h1-18,31H
InChIKeyVFKMXLAXGZYYJB-UHFFFAOYSA-N
XLogP8.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline?
The IUPAC name of 3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline (CID 2537934) is 3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline.
What is the SMILES notation for 3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline?
The canonical SMILES for 3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline is Clc1c(-c2c(-c3ccccc3)[nH]c3ccccc23)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline?
The InChIKey is VFKMXLAXGZYYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19ClN2/c30-27-25(19-11-3-1-4-12-19)21-15-7-9-17-23(21)32-29(27)26-22-16-8-10-18-24(22)31-28(26)20-13-5-2-6-14-20/h1-18,31H.
What are the key properties of 3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline?
3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline has a molecular weight of 430.94 g/mol, XLogP of 8.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-phenyl-2-(2-phenyl-1H-indol-3-yl)quinoline is sourced from PubChem (CID 2537934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).