4-indol-1-ylisoquinoline

C17H12N2 — CID 68997324

IUPAC4-indol-1-ylisoquinoline
SMILESc1ccc2c(-n3ccc4ccccc43)cncc2c1
InChIInChI=1S/C17H12N2/c1-3-7-15-14(6-1)11-18-12-17(15)19-10-9-13-5-2-4-8-16(13)19/h1-12H
InChIKeyKPFFYEKTORBISF-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.18
Rot. Bonds1

About 4-indol-1-ylisoquinoline

4-indol-1-ylisoquinoline (PubChem CID 68997324) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-indol-1-ylisoquinoline.

Molecular Properties

Compound Name4-indol-1-ylisoquinoline
PubChem CID68997324
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name4-indol-1-ylisoquinoline
SMILESc1ccc2c(-n3ccc4ccccc43)cncc2c1
InChIInChI=1S/C17H12N2/c1-3-7-15-14(6-1)11-18-12-17(15)19-10-9-13-5-2-4-8-16(13)19/h1-12H
InChIKeyKPFFYEKTORBISF-UHFFFAOYSA-N
XLogP4.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-indol-1-ylisoquinoline?
The IUPAC name of 4-indol-1-ylisoquinoline (CID 68997324) is 4-indol-1-ylisoquinoline.
What is the SMILES notation for 4-indol-1-ylisoquinoline?
The canonical SMILES for 4-indol-1-ylisoquinoline is c1ccc2c(-n3ccc4ccccc43)cncc2c1.
What is the InChIKey of 4-indol-1-ylisoquinoline?
The InChIKey is KPFFYEKTORBISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-3-7-15-14(6-1)11-18-12-17(15)19-10-9-13-5-2-4-8-16(13)19/h1-12H.
What are the key properties of 4-indol-1-ylisoquinoline?
4-indol-1-ylisoquinoline has a molecular weight of 244.30 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-ylisoquinoline is sourced from PubChem (CID 68997324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).