3-indol-1-ylisoquinolin-6-amine

C17H13N3 — CID 164820532

IUPAC3-indol-1-ylisoquinolin-6-amine
SMILESNc1ccc2cnc(-n3ccc4ccccc43)cc2c1
InChIInChI=1S/C17H13N3/c18-15-6-5-13-11-19-17(10-14(13)9-15)20-8-7-12-3-1-2-4-16(12)20/h1-11H,18H2
InChIKeyWIYXDOZYEMQYGT-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.76
Rot. Bonds1

About 3-indol-1-ylisoquinolin-6-amine

3-indol-1-ylisoquinolin-6-amine (PubChem CID 164820532) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-indol-1-ylisoquinolin-6-amine.

Molecular Properties

Compound Name3-indol-1-ylisoquinolin-6-amine
PubChem CID164820532
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name3-indol-1-ylisoquinolin-6-amine
SMILESNc1ccc2cnc(-n3ccc4ccccc43)cc2c1
InChIInChI=1S/C17H13N3/c18-15-6-5-13-11-19-17(10-14(13)9-15)20-8-7-12-3-1-2-4-16(12)20/h1-11H,18H2
InChIKeyWIYXDOZYEMQYGT-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline
CID 164820560
1-pyrazin-2-ylindole
CID 58898193
6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-7-amine
CID 118585652
6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
CID 169440714
6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
CID 118577045
6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline
CID 155583136
7-iodo-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-8-amine
CID 118585733
N,N-dimethyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
CID 155584602
1-(1H-1,2,4-triazol-5-yl)indole
CID 167408371
1-fluoro-7-pyrrolo[2,3-c]pyridin-1-yl-2,6-naphthyridine
CID 118577050
4-indol-1-ylisoquinoline
CID 68997324
4-indol-1-yl-5-methoxypyrimidin-2-amine
CID 135203661

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-ylisoquinolin-6-amine?
The IUPAC name of 3-indol-1-ylisoquinolin-6-amine (CID 164820532) is 3-indol-1-ylisoquinolin-6-amine.
What is the SMILES notation for 3-indol-1-ylisoquinolin-6-amine?
The canonical SMILES for 3-indol-1-ylisoquinolin-6-amine is Nc1ccc2cnc(-n3ccc4ccccc43)cc2c1.
What is the InChIKey of 3-indol-1-ylisoquinolin-6-amine?
The InChIKey is WIYXDOZYEMQYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c18-15-6-5-13-11-19-17(10-14(13)9-15)20-8-7-12-3-1-2-4-16(12)20/h1-11H,18H2.
What are the key properties of 3-indol-1-ylisoquinolin-6-amine?
3-indol-1-ylisoquinolin-6-amine has a molecular weight of 259.31 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-ylisoquinolin-6-amine is sourced from PubChem (CID 164820532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).