1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one

C25H18N2O2 — CID 15023408

IUPAC1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C25H18N2O2/c28-24-18-10-1-6-16-8-3-12-20(22(16)18)26(24)14-5-15-27-21-13-4-9-17-7-2-11-19(23(17)21)25(27)29/h1-4,6-13H,5,14-15H2
InChIKeyBZVBSHNLTIMZQW-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.00
Rot. Bonds4

About 1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one

1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one (PubChem CID 15023408) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
PubChem CID15023408
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C25H18N2O2/c28-24-18-10-1-6-16-8-3-12-20(22(16)18)26(24)14-5-15-27-21-13-4-9-17-7-2-11-19(23(17)21)25(27)29/h1-4,6-13H,5,14-15H2
InChIKeyBZVBSHNLTIMZQW-UHFFFAOYSA-N
XLogP5.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]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-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one (CID 15023408) is 1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1CCCN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one?
The InChIKey is BZVBSHNLTIMZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c28-24-18-10-1-6-16-8-3-12-20(22(16)18)26(24)14-5-15-27-21-13-4-9-17-7-2-11-19(23(17)21)25(27)29/h1-4,6-13H,5,14-15H2.
What are the key properties of 1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one?
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one has a molecular weight of 378.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one is sourced from PubChem (CID 15023408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).