1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline

C23H15ClN2 — CID 135034886

IUPAC1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline
SMILESClc1ccc2[nH]cc(-c3nc(-c4ccccc4)cc4ccccc34)c2c1
InChIInChI=1S/C23H15ClN2/c24-17-10-11-21-19(13-17)20(14-25-21)23-18-9-5-4-8-16(18)12-22(26-23)15-6-2-1-3-7-15/h1-14,25H
InChIKeyGFIDNDABKDNQEF-UHFFFAOYSA-N
MW354.84 g/mol
LogP6.70
Rot. Bonds2

About 1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline

1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline (PubChem CID 135034886) has the molecular formula C23H15ClN2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline
PubChem CID135034886
Molecular FormulaC23H15ClN2
Molecular Weight354.84 g/mol
Exact Mass354.09
IUPAC Name1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline
SMILESClc1ccc2[nH]cc(-c3nc(-c4ccccc4)cc4ccccc34)c2c1
InChIInChI=1S/C23H15ClN2/c24-17-10-11-21-19(13-17)20(14-25-21)23-18-9-5-4-8-16(18)12-22(26-23)15-6-2-1-3-7-15/h1-14,25H
InChIKeyGFIDNDABKDNQEF-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 1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline (CID 135034886) is 1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline is Clc1ccc2[nH]cc(-c3nc(-c4ccccc4)cc4ccccc34)c2c1.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline?
The InChIKey is GFIDNDABKDNQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2/c24-17-10-11-21-19(13-17)20(14-25-21)23-18-9-5-4-8-16(18)12-22(26-23)15-6-2-1-3-7-15/h1-14,25H.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline?
1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline 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 1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline is sourced from PubChem (CID 135034886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).