4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone

C16H8ClN3O4 — CID 23182635

IUPAC4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone
SMILESNc1c2c(=O)[nH]c(=O)c2c(N)c2c(=O)c3c(Cl)cccc3c(=O)c12
InChIInChI=1S/C16H8ClN3O4/c17-5-3-1-2-4-6(5)14(22)8-7(13(4)21)11(18)9-10(12(8)19)16(24)20-15(9)23/h1-3H,18-19H2,(H,20,23,24)
InChIKeySBWKIMWMPZEXOM-UHFFFAOYSA-N
MW341.71 g/mol
LogP0.61
Rot. Bonds

About 4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone

4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone (PubChem CID 23182635) has the molecular formula C16H8ClN3O4 and a molecular weight of 341.71 g/mol. Its IUPAC name is 4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone.

Molecular Properties

Compound Name4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone
PubChem CID23182635
Molecular FormulaC16H8ClN3O4
Molecular Weight341.71 g/mol
Exact Mass341.02
IUPAC Name4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone
SMILESNc1c2c(=O)[nH]c(=O)c2c(N)c2c(=O)c3c(Cl)cccc3c(=O)c12
InChIInChI=1S/C16H8ClN3O4/c17-5-3-1-2-4-6(5)14(22)8-7(13(4)21)11(18)9-10(12(8)19)16(24)20-15(9)23/h1-3H,18-19H2,(H,20,23,24)
InChIKeySBWKIMWMPZEXOM-UHFFFAOYSA-N
XLogP0.61
TPSA136.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.71
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone 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 4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The IUPAC name of 4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone (CID 23182635) is 4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone.
What is the SMILES notation for 4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The canonical SMILES for 4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone is Nc1c2c(=O)[nH]c(=O)c2c(N)c2c(=O)c3c(Cl)cccc3c(=O)c12.
What is the InChIKey of 4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The InChIKey is SBWKIMWMPZEXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClN3O4/c17-5-3-1-2-4-6(5)14(22)8-7(13(4)21)11(18)9-10(12(8)19)16(24)20-15(9)23/h1-3H,18-19H2,(H,20,23,24).
What are the key properties of 4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone has a molecular weight of 341.71 g/mol, XLogP of 0.61, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-diamino-6-chloronaphtho[2,3-f]isoindole-1,3,5,10-tetrone is sourced from PubChem (CID 23182635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).