5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine

C17H15N3 — CID 62204659

IUPAC5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine
SMILESNc1ccc(N2Cc3ccccc3C2)c2cccnc12
InChIInChI=1S/C17H15N3/c18-15-7-8-16(14-6-3-9-19-17(14)15)20-10-12-4-1-2-5-13(12)11-20/h1-9H,10-11,18H2
InChIKeyXCOKVLOSEPTIRE-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.34
Rot. Bonds1

About 5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine

5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine (PubChem CID 62204659) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine
PubChem CID62204659
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine
SMILESNc1ccc(N2Cc3ccccc3C2)c2cccnc12
InChIInChI=1S/C17H15N3/c18-15-7-8-16(14-6-3-9-19-17(14)15)20-10-12-4-1-2-5-13(12)11-20/h1-9H,10-11,18H2
InChIKeyXCOKVLOSEPTIRE-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'}

Analyze 5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine
CID 43581386
1-(8-aminoquinolin-5-yl)piperidin-4-ol
CID 43382826
5-[4-(dimethylamino)piperidin-1-yl]quinolin-8-amine
CID 43585725
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine
CID 64575770
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinolin-8-amine
CID 63150967
2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one
CID 104826612
5-(3-methoxypiperidin-1-yl)quinolin-8-amine
CID 102955780
5-(1,2,4-triazol-1-yl)quinolin-8-amine
CID 43449577
1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317610
5-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-8-amine
CID 61345299
5-N-(2,3-dihydro-1H-inden-2-yl)quinoline-5,8-diamine
CID 107844436
2-quinolin-5-yl-1,3-dihydroisoindol-5-amine
CID 43370073

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine?
The IUPAC name of 5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine (CID 62204659) is 5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine.
What is the SMILES notation for 5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine?
The canonical SMILES for 5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine is Nc1ccc(N2Cc3ccccc3C2)c2cccnc12.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine?
The InChIKey is XCOKVLOSEPTIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-15-7-8-16(14-6-3-9-19-17(14)15)20-10-12-4-1-2-5-13(12)11-20/h1-9H,10-11,18H2.
What are the key properties of 5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine?
5-(1,3-dihydroisoindol-2-yl)quinolin-8-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 5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine is sourced from PubChem (CID 62204659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).