2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine

C18H17N3 — CID 66000715

IUPAC2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine
SMILESCc1cc2ccccc2nc1N1Cc2ccc(N)cc2C1
InChIInChI=1S/C18H17N3/c1-12-8-13-4-2-3-5-17(13)20-18(12)21-10-14-6-7-16(19)9-15(14)11-21/h2-9H,10-11,19H2,1H3
InChIKeyYOMNSJYCKZPQJR-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.65
Rot. Bonds1

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

2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine (PubChem CID 66000715) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine
PubChem CID66000715
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine
SMILESCc1cc2ccccc2nc1N1Cc2ccc(N)cc2C1
InChIInChI=1S/C18H17N3/c1-12-8-13-4-2-3-5-17(13)20-18(12)21-10-14-6-7-16(19)9-15(14)11-21/h2-9H,10-11,19H2,1H3
InChIKeyYOMNSJYCKZPQJR-UHFFFAOYSA-N
XLogP3.65
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine (CID 66000715) is 2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine is Cc1cc2ccccc2nc1N1Cc2ccc(N)cc2C1.
What is the InChIKey of 2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine?
The InChIKey is YOMNSJYCKZPQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-12-8-13-4-2-3-5-17(13)20-18(12)21-10-14-6-7-16(19)9-15(14)11-21/h2-9H,10-11,19H2,1H3.
What are the key properties of 2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine?
2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine has a molecular weight of 275.36 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinolin-2-yl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 66000715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).