4-(1H-indol-2-ylsulfanyl)quinolin-8-amine

C17H13N3S — CID 83066681

IUPAC4-(1H-indol-2-ylsulfanyl)quinolin-8-amine
SMILESNc1cccc2c(Sc3cc4ccccc4[nH]3)ccnc12
InChIInChI=1S/C17H13N3S/c18-13-6-3-5-12-15(8-9-19-17(12)13)21-16-10-11-4-1-2-7-14(11)20-16/h1-10,20H,18H2
InChIKeyXGOBBCSHXVRXRO-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.45
Rot. Bonds2

About 4-(1H-indol-2-ylsulfanyl)quinolin-8-amine

4-(1H-indol-2-ylsulfanyl)quinolin-8-amine (PubChem CID 83066681) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(1H-indol-2-ylsulfanyl)quinolin-8-amine.

Molecular Properties

Compound Name4-(1H-indol-2-ylsulfanyl)quinolin-8-amine
PubChem CID83066681
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name4-(1H-indol-2-ylsulfanyl)quinolin-8-amine
SMILESNc1cccc2c(Sc3cc4ccccc4[nH]3)ccnc12
InChIInChI=1S/C17H13N3S/c18-13-6-3-5-12-15(8-9-19-17(12)13)21-16-10-11-4-1-2-7-14(11)20-16/h1-10,20H,18H2
InChIKeyXGOBBCSHXVRXRO-UHFFFAOYSA-N
XLogP4.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-ylsulfanyl)quinolin-8-amine?
The IUPAC name of 4-(1H-indol-2-ylsulfanyl)quinolin-8-amine (CID 83066681) is 4-(1H-indol-2-ylsulfanyl)quinolin-8-amine.
What is the SMILES notation for 4-(1H-indol-2-ylsulfanyl)quinolin-8-amine?
The canonical SMILES for 4-(1H-indol-2-ylsulfanyl)quinolin-8-amine is Nc1cccc2c(Sc3cc4ccccc4[nH]3)ccnc12.
What is the InChIKey of 4-(1H-indol-2-ylsulfanyl)quinolin-8-amine?
The InChIKey is XGOBBCSHXVRXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c18-13-6-3-5-12-15(8-9-19-17(12)13)21-16-10-11-4-1-2-7-14(11)20-16/h1-10,20H,18H2.
What are the key properties of 4-(1H-indol-2-ylsulfanyl)quinolin-8-amine?
4-(1H-indol-2-ylsulfanyl)quinolin-8-amine has a molecular weight of 291.38 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-ylsulfanyl)quinolin-8-amine is sourced from PubChem (CID 83066681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).