6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline

C23H15ClN2 — CID 54613196

IUPAC6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline
SMILESClc1ccc2nc(-c3c[nH]c4ccccc34)cc(-c3ccccc3)c2c1
InChIInChI=1S/C23H15ClN2/c24-16-10-11-22-19(12-16)18(15-6-2-1-3-7-15)13-23(26-22)20-14-25-21-9-5-4-8-17(20)21/h1-14,25H
InChIKeyLTUZPODERZUPRD-UHFFFAOYSA-N
MW354.84 g/mol
LogP6.70
Rot. Bonds2

About 6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline

6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline (PubChem CID 54613196) has the molecular formula C23H15ClN2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline.

Molecular Properties

Compound Name6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline
PubChem CID54613196
Molecular FormulaC23H15ClN2
Molecular Weight354.84 g/mol
Exact Mass354.09
IUPAC Name6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline
SMILESClc1ccc2nc(-c3c[nH]c4ccccc34)cc(-c3ccccc3)c2c1
InChIInChI=1S/C23H15ClN2/c24-16-10-11-22-19(12-16)18(15-6-2-1-3-7-15)13-23(26-22)20-14-25-21-9-5-4-8-17(20)21/h1-14,25H
InChIKeyLTUZPODERZUPRD-UHFFFAOYSA-N
XLogP6.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline?
The IUPAC name of 6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline (CID 54613196) is 6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline.
What is the SMILES notation for 6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline?
The canonical SMILES for 6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline is Clc1ccc2nc(-c3c[nH]c4ccccc34)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline?
The InChIKey is LTUZPODERZUPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2/c24-16-10-11-22-19(12-16)18(15-6-2-1-3-7-15)13-23(26-22)20-14-25-21-9-5-4-8-17(20)21/h1-14,25H.
What are the key properties of 6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline?
6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline has a molecular weight of 354.84 g/mol, XLogP of 6.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline is sourced from PubChem (CID 54613196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).