3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine

C18H17N3 — CID 62178051

IUPAC3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1CN1CCc2ccccc21
InChIInChI=1S/C18H17N3/c19-18-15(11-14-6-1-3-7-16(14)20-18)12-21-10-9-13-5-2-4-8-17(13)21/h1-8,11H,9-10,12H2,(H2,19,20)
InChIKeyOJNWFTZXVMZSSX-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.38
Rot. Bonds2

About 3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine

3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine (PubChem CID 62178051) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine
PubChem CID62178051
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1CN1CCc2ccccc21
InChIInChI=1S/C18H17N3/c19-18-15(11-14-6-1-3-7-16(14)20-18)12-21-10-9-13-5-2-4-8-17(13)21/h1-8,11H,9-10,12H2,(H2,19,20)
InChIKeyOJNWFTZXVMZSSX-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine?
The IUPAC name of 3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine (CID 62178051) is 3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine is Nc1nc2ccccc2cc1CN1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine?
The InChIKey is OJNWFTZXVMZSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-18-15(11-14-6-1-3-7-16(14)20-18)12-21-10-9-13-5-2-4-8-17(13)21/h1-8,11H,9-10,12H2,(H2,19,20).
What are the key properties of 3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine?
3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 62178051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).