2-quinolin-5-yl-1,3-dihydroisoindol-5-amine

C17H15N3 — CID 43370073

IUPAC2-quinolin-5-yl-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(c1cccc3ncccc13)C2
InChIInChI=1S/C17H15N3/c18-14-7-6-12-10-20(11-13(12)9-14)17-5-1-4-16-15(17)3-2-8-19-16/h1-9H,10-11,18H2
InChIKeyICRWQUWAAFUCKC-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.34
Rot. Bonds1

About 2-quinolin-5-yl-1,3-dihydroisoindol-5-amine

2-quinolin-5-yl-1,3-dihydroisoindol-5-amine (PubChem CID 43370073) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-quinolin-5-yl-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-quinolin-5-yl-1,3-dihydroisoindol-5-amine
PubChem CID43370073
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-quinolin-5-yl-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(c1cccc3ncccc13)C2
InChIInChI=1S/C17H15N3/c18-14-7-6-12-10-20(11-13(12)9-14)17-5-1-4-16-15(17)3-2-8-19-16/h1-9H,10-11,18H2
InChIKeyICRWQUWAAFUCKC-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 2-quinolin-5-yl-1,3-dihydroisoindol-5-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-pyrrolidin-1-ylquinoline
CID 118731129
5-piperidin-1-ylquinoline
CID 12887802
5-piperazin-1-ylquinoline
CID 10656226
5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine
CID 62204659
5-(3,5-dimethylpiperazin-1-yl)quinoline
CID 81217174
6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine
CID 63291206
1-quinolin-5-yltetrazol-5-amine
CID 79506210
2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524293
2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine
CID 66000715
1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine
CID 79231157
N-propyl-1-quinolin-5-ylpiperidin-4-amine
CID 43315003
2-quinolin-5-yl-3H-benzimidazol-5-amine
CID 62874194

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-5-yl-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-quinolin-5-yl-1,3-dihydroisoindol-5-amine (CID 43370073) is 2-quinolin-5-yl-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-quinolin-5-yl-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-quinolin-5-yl-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(c1cccc3ncccc13)C2.
What is the InChIKey of 2-quinolin-5-yl-1,3-dihydroisoindol-5-amine?
The InChIKey is ICRWQUWAAFUCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-14-7-6-12-10-20(11-13(12)9-14)17-5-1-4-16-15(17)3-2-8-19-16/h1-9H,10-11,18H2.
What are the key properties of 2-quinolin-5-yl-1,3-dihydroisoindol-5-amine?
2-quinolin-5-yl-1,3-dihydroisoindol-5-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-5-yl-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 43370073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).