6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one

C19H16N2O2 — CID 59543192

IUPAC6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(c1ccc3nccc(C)c3c1)C2
InChIInChI=1S/C19H16N2O2/c1-12-7-8-20-18-6-4-14(9-16(12)18)21-11-13-3-5-15(23-2)10-17(13)19(21)22/h3-10H,11H2,1-2H3
InChIKeyCWZNELZPYJNCGP-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.71
Rot. Bonds2

About 6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one

6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one (PubChem CID 59543192) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one
PubChem CID59543192
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)C(=O)N(c1ccc3nccc(C)c3c1)C2
InChIInChI=1S/C19H16N2O2/c1-12-7-8-20-18-6-4-14(9-16(12)18)21-11-13-3-5-15(23-2)10-17(13)19(21)22/h3-10H,11H2,1-2H3
InChIKeyCWZNELZPYJNCGP-UHFFFAOYSA-N
XLogP3.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one?
The IUPAC name of 6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one (CID 59543192) is 6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one is COc1ccc2c(c1)C(=O)N(c1ccc3nccc(C)c3c1)C2.
What is the InChIKey of 6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one?
The InChIKey is CWZNELZPYJNCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-7-8-20-18-6-4-14(9-16(12)18)21-11-13-3-5-15(23-2)10-17(13)19(21)22/h3-10H,11H2,1-2H3.
What are the key properties of 6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one?
6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one has a molecular weight of 304.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one is sourced from PubChem (CID 59543192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).