2-quinolin-6-yl-1,3-dihydroisoindol-4-amine

C17H15N3 — CID 62634434

IUPAC2-quinolin-6-yl-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1ccc3ncccc3c1)C2
InChIInChI=1S/C17H15N3/c18-16-5-1-3-13-10-20(11-15(13)16)14-6-7-17-12(9-14)4-2-8-19-17/h1-9H,10-11,18H2
InChIKeyUWBZRGQUWOGDLJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.34
Rot. Bonds1

About 2-quinolin-6-yl-1,3-dihydroisoindol-4-amine

2-quinolin-6-yl-1,3-dihydroisoindol-4-amine (PubChem CID 62634434) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-quinolin-6-yl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-quinolin-6-yl-1,3-dihydroisoindol-4-amine
PubChem CID62634434
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-quinolin-6-yl-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1ccc3ncccc3c1)C2
InChIInChI=1S/C17H15N3/c18-16-5-1-3-13-10-20(11-15(13)16)14-6-7-17-12(9-14)4-2-8-19-17/h1-9H,10-11,18H2
InChIKeyUWBZRGQUWOGDLJ-UHFFFAOYSA-N
XLogP3.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.34
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

2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine
CID 43370098
6-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110454797
2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine
CID 43378747
6-(1,4-diazepan-1-yl)quinoline
CID 62635992
1-quinolin-6-ylimidazo[4,5-c]pyridin-2-amine
CID 79271506
2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine
CID 107645773
6-bromo-2-quinolin-6-yl-3H-isoindol-1-one
CID 59543385
2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79922941
3-propan-2-yl-1-quinolin-6-ylpyrazol-5-amine
CID 67254757
2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine
CID 43370057
N-propyl-1-quinolin-6-ylpyrrolidin-3-amine
CID 62635980
4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 91307807

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-6-yl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-quinolin-6-yl-1,3-dihydroisoindol-4-amine (CID 62634434) is 2-quinolin-6-yl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-quinolin-6-yl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-quinolin-6-yl-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(c1ccc3ncccc3c1)C2.
What is the InChIKey of 2-quinolin-6-yl-1,3-dihydroisoindol-4-amine?
The InChIKey is UWBZRGQUWOGDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-16-5-1-3-13-10-20(11-15(13)16)14-6-7-17-12(9-14)4-2-8-19-17/h1-9H,10-11,18H2.
What are the key properties of 2-quinolin-6-yl-1,3-dihydroisoindol-4-amine?
2-quinolin-6-yl-1,3-dihydroisoindol-4-amine has a molecular weight of 261.33 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-6-yl-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 62634434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).