2H-isoindol-4-yl 2H-isoindole-4-carboxylate

C17H12N2O2 — CID 143322643

IUPAC2H-isoindol-4-yl 2H-isoindole-4-carboxylate
SMILESO=C(Oc1cccc2c[nH]cc12)c1cccc2c[nH]cc12
InChIInChI=1S/C17H12N2O2/c20-17(13-5-1-3-11-7-18-9-14(11)13)21-16-6-2-4-12-8-19-10-15(12)16/h1-10,18-19H
InChIKeyZHBDPFMYCUDFQF-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.87
Rot. Bonds2

About 2H-isoindol-4-yl 2H-isoindole-4-carboxylate

2H-isoindol-4-yl 2H-isoindole-4-carboxylate (PubChem CID 143322643) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2H-isoindol-4-yl 2H-isoindole-4-carboxylate.

Molecular Properties

Compound Name2H-isoindol-4-yl 2H-isoindole-4-carboxylate
PubChem CID143322643
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2H-isoindol-4-yl 2H-isoindole-4-carboxylate
SMILESO=C(Oc1cccc2c[nH]cc12)c1cccc2c[nH]cc12
InChIInChI=1S/C17H12N2O2/c20-17(13-5-1-3-11-7-18-9-14(11)13)21-16-6-2-4-12-8-19-10-15(12)16/h1-10,18-19H
InChIKeyZHBDPFMYCUDFQF-UHFFFAOYSA-N
XLogP3.87
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2H-isoindol-4-yl 2H-isoindole-4-carboxylate 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

methyl 2H-isoindole-4-carboxylate
CID 71773027
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
(2-phenylphenyl) naphthalene-1-carboxylate
CID 91722072
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
CID 175286070
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
anthracen-1-yl 2-formylbenzoate
CID 141425213
naphthalen-1-yl dibenzofuran-1-carboxylate
CID 134956412
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
[2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] naphthalene-1-carboxylate
CID 5131676

Frequently Asked Questions

What is the IUPAC name of 2H-isoindol-4-yl 2H-isoindole-4-carboxylate?
The IUPAC name of 2H-isoindol-4-yl 2H-isoindole-4-carboxylate (CID 143322643) is 2H-isoindol-4-yl 2H-isoindole-4-carboxylate.
What is the SMILES notation for 2H-isoindol-4-yl 2H-isoindole-4-carboxylate?
The canonical SMILES for 2H-isoindol-4-yl 2H-isoindole-4-carboxylate is O=C(Oc1cccc2c[nH]cc12)c1cccc2c[nH]cc12.
What is the InChIKey of 2H-isoindol-4-yl 2H-isoindole-4-carboxylate?
The InChIKey is ZHBDPFMYCUDFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17(13-5-1-3-11-7-18-9-14(11)13)21-16-6-2-4-12-8-19-10-15(12)16/h1-10,18-19H.
What are the key properties of 2H-isoindol-4-yl 2H-isoindole-4-carboxylate?
2H-isoindol-4-yl 2H-isoindole-4-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-isoindol-4-yl 2H-isoindole-4-carboxylate is sourced from PubChem (CID 143322643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).