3-(1H-indol-3-yl)quinoline

C17H12N2 — CID 10243546

IUPAC3-(1H-indol-3-yl)quinoline
SMILESc1ccc2ncc(-c3c[nH]c4ccccc34)cc2c1
InChIInChI=1S/C17H12N2/c1-3-7-16-12(5-1)9-13(10-18-16)15-11-19-17-8-4-2-6-14(15)17/h1-11,19H
InChIKeyBJQHKICYZOBROI-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.38
Rot. Bonds1

About 3-(1H-indol-3-yl)quinoline

3-(1H-indol-3-yl)quinoline (PubChem CID 10243546) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name3-(1H-indol-3-yl)quinoline
PubChem CID10243546
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name3-(1H-indol-3-yl)quinoline
SMILESc1ccc2ncc(-c3c[nH]c4ccccc34)cc2c1
InChIInChI=1S/C17H12N2/c1-3-7-16-12(5-1)9-13(10-18-16)15-11-19-17-8-4-2-6-14(15)17/h1-11,19H
InChIKeyBJQHKICYZOBROI-UHFFFAOYSA-N
XLogP4.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)quinoline?
The IUPAC name of 3-(1H-indol-3-yl)quinoline (CID 10243546) is 3-(1H-indol-3-yl)quinoline.
What is the SMILES notation for 3-(1H-indol-3-yl)quinoline?
The canonical SMILES for 3-(1H-indol-3-yl)quinoline is c1ccc2ncc(-c3c[nH]c4ccccc34)cc2c1.
What is the InChIKey of 3-(1H-indol-3-yl)quinoline?
The InChIKey is BJQHKICYZOBROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-3-7-16-12(5-1)9-13(10-18-16)15-11-19-17-8-4-2-6-14(15)17/h1-11,19H.
What are the key properties of 3-(1H-indol-3-yl)quinoline?
3-(1H-indol-3-yl)quinoline has a molecular weight of 244.30 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)quinoline is sourced from PubChem (CID 10243546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).