1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one

C21H18N4O2 — CID 20788288

IUPAC1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one
SMILESCC(=O)N1C(=O)c2cccc3c(/N=N/c4ccc(N(C)C)cc4)ccc1c23
InChIInChI=1S/C21H18N4O2/c1-13(26)25-19-12-11-18(16-5-4-6-17(20(16)19)21(25)27)23-22-14-7-9-15(10-8-14)24(2)3/h4-12H,1-3H3/b23-22+
InChIKeyQQHRLZUFVYVYEW-GHVJWSGMSA-N
MW358.40 g/mol
LogP4.83
Rot. Bonds3

About 1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one

1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one (PubChem CID 20788288) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one
PubChem CID20788288
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one
SMILESCC(=O)N1C(=O)c2cccc3c(/N=N/c4ccc(N(C)C)cc4)ccc1c23
InChIInChI=1S/C21H18N4O2/c1-13(26)25-19-12-11-18(16-5-4-6-17(20(16)19)21(25)27)23-22-14-7-9-15(10-8-14)24(2)3/h4-12H,1-3H3/b23-22+
InChIKeyQQHRLZUFVYVYEW-GHVJWSGMSA-N
XLogP4.83
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-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 1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one?
The IUPAC name of 1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one (CID 20788288) is 1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one is CC(=O)N1C(=O)c2cccc3c(/N=N/c4ccc(N(C)C)cc4)ccc1c23.
What is the InChIKey of 1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one?
The InChIKey is QQHRLZUFVYVYEW-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13(26)25-19-12-11-18(16-5-4-6-17(20(16)19)21(25)27)23-22-14-7-9-15(10-8-14)24(2)3/h4-12H,1-3H3/b23-22+.
What are the key properties of 1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one?
1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one has a molecular weight of 358.40 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one is sourced from PubChem (CID 20788288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).