4-indol-1-yl-8-quinolin-5-ylisoquinoline

C26H17N3 — CID 166707315

IUPAC4-indol-1-yl-8-quinolin-5-ylisoquinoline
SMILESc1ccc2c(c1)ccn2-c1cncc2c(-c3cccc4ncccc34)cccc12
InChIInChI=1S/C26H17N3/c1-2-12-25-18(6-1)13-15-29(25)26-17-27-16-23-20(7-3-9-22(23)26)19-8-4-11-24-21(19)10-5-14-28-24/h1-17H
InChIKeyPKTDIQCZZNQBEI-UHFFFAOYSA-N
MW371.44 g/mol
LogP6.39
Rot. Bonds2

About 4-indol-1-yl-8-quinolin-5-ylisoquinoline

4-indol-1-yl-8-quinolin-5-ylisoquinoline (PubChem CID 166707315) has the molecular formula C26H17N3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-indol-1-yl-8-quinolin-5-ylisoquinoline.

Molecular Properties

Compound Name4-indol-1-yl-8-quinolin-5-ylisoquinoline
PubChem CID166707315
Molecular FormulaC26H17N3
Molecular Weight371.44 g/mol
Exact Mass371.14
IUPAC Name4-indol-1-yl-8-quinolin-5-ylisoquinoline
SMILESc1ccc2c(c1)ccn2-c1cncc2c(-c3cccc4ncccc34)cccc12
InChIInChI=1S/C26H17N3/c1-2-12-25-18(6-1)13-15-29(25)26-17-27-16-23-20(7-3-9-22(23)26)19-8-4-11-24-21(19)10-5-14-28-24/h1-17H
InChIKeyPKTDIQCZZNQBEI-UHFFFAOYSA-N
XLogP6.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-8-quinolin-5-ylisoquinoline?
The IUPAC name of 4-indol-1-yl-8-quinolin-5-ylisoquinoline (CID 166707315) is 4-indol-1-yl-8-quinolin-5-ylisoquinoline.
What is the SMILES notation for 4-indol-1-yl-8-quinolin-5-ylisoquinoline?
The canonical SMILES for 4-indol-1-yl-8-quinolin-5-ylisoquinoline is c1ccc2c(c1)ccn2-c1cncc2c(-c3cccc4ncccc34)cccc12.
What is the InChIKey of 4-indol-1-yl-8-quinolin-5-ylisoquinoline?
The InChIKey is PKTDIQCZZNQBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3/c1-2-12-25-18(6-1)13-15-29(25)26-17-27-16-23-20(7-3-9-22(23)26)19-8-4-11-24-21(19)10-5-14-28-24/h1-17H.
What are the key properties of 4-indol-1-yl-8-quinolin-5-ylisoquinoline?
4-indol-1-yl-8-quinolin-5-ylisoquinoline has a molecular weight of 371.44 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-8-quinolin-5-ylisoquinoline is sourced from PubChem (CID 166707315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).