7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one

C15H14N2O2 — CID 122639239

IUPAC7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one
SMILESCOc1ccc(-c2ccc(N)c3c2CNC3=O)cc1
InChIInChI=1S/C15H14N2O2/c1-19-10-4-2-9(3-5-10)11-6-7-13(16)14-12(11)8-17-15(14)18/h2-7H,8,16H2,1H3,(H,17,18)
InChIKeyMESTUIIAKLAYDJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.19
Rot. Bonds2

About 7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one

7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one (PubChem CID 122639239) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one
PubChem CID122639239
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one
SMILESCOc1ccc(-c2ccc(N)c3c2CNC3=O)cc1
InChIInChI=1S/C15H14N2O2/c1-19-10-4-2-9(3-5-10)11-6-7-13(16)14-12(11)8-17-15(14)18/h2-7H,8,16H2,1H3,(H,17,18)
InChIKeyMESTUIIAKLAYDJ-UHFFFAOYSA-N
XLogP2.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-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 7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one (CID 122639239) is 7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one is COc1ccc(-c2ccc(N)c3c2CNC3=O)cc1.
What is the InChIKey of 7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one?
The InChIKey is MESTUIIAKLAYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-10-4-2-9(3-5-10)11-6-7-13(16)14-12(11)8-17-15(14)18/h2-7H,8,16H2,1H3,(H,17,18).
What are the key properties of 7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one?
7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one has a molecular weight of 254.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 122639239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).