1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine

C17H17N3 — CID 62783291

IUPAC1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2-c1cnc2ccccc2c1
InChIInChI=1S/C17H17N3/c18-15-5-3-7-17-14(15)8-9-20(17)13-10-12-4-1-2-6-16(12)19-11-13/h1-2,4,6,8-11,15H,3,5,7,18H2
InChIKeyOXCRQLFRBNQJOX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.36
Rot. Bonds1

About 1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine

1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 62783291) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine
PubChem CID62783291
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2-c1cnc2ccccc2c1
InChIInChI=1S/C17H17N3/c18-15-5-3-7-17-14(15)8-9-20(17)13-10-12-4-1-2-6-16(12)19-11-13/h1-2,4,6,8-11,15H,3,5,7,18H2
InChIKeyOXCRQLFRBNQJOX-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine (CID 62783291) is 1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine is NC1CCCc2c1ccn2-c1cnc2ccccc2c1.
What is the InChIKey of 1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is OXCRQLFRBNQJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-15-5-3-7-17-14(15)8-9-20(17)13-10-12-4-1-2-6-16(12)19-11-13/h1-2,4,6,8-11,15H,3,5,7,18H2.
What are the key properties of 1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine?
1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-yl-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 62783291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).