2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid

C19H14N2O3 — CID 4737279

IUPAC2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid
SMILESO=C(O)c1ccccc1NCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C19H14N2O3/c22-18-14-8-3-5-12-6-4-10-16(17(12)14)21(18)11-20-15-9-2-1-7-13(15)19(23)24/h1-10,20H,11H2,(H,23,24)
InChIKeyPGSKWTJQPOPGNB-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.57
Rot. Bonds4

About 2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid

2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid (PubChem CID 4737279) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid
PubChem CID4737279
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid
SMILESO=C(O)c1ccccc1NCN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C19H14N2O3/c22-18-14-8-3-5-12-6-4-10-16(17(12)14)21(18)11-20-15-9-2-1-7-13(15)19(23)24/h1-10,20H,11H2,(H,23,24)
InChIKeyPGSKWTJQPOPGNB-UHFFFAOYSA-N
XLogP3.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid 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

4-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid
CID 4739341
methyl 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1084274
2-(2-oxobenzo[cd]indol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 989246
1-[(4-aminoanilino)methyl]benzo[cd]indol-2-one
CID 4737363
2-[(2-methoxyanilino)methyl]benzo[de]isoquinoline-1,3-dione
CID 2884993
2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 1085704
3-methyl-4-(2-oxobenzo[cd]indol-1-yl)but-2-enoic acid
CID 77005758
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 893347
1-[[3-(trifluoromethyl)anilino]methyl]benzo[cd]indol-2-one
CID 35794746
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid?
The IUPAC name of 2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid (CID 4737279) is 2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid.
What is the SMILES notation for 2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid?
The canonical SMILES for 2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid is O=C(O)c1ccccc1NCN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid?
The InChIKey is PGSKWTJQPOPGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-18-14-8-3-5-12-6-4-10-16(17(12)14)21(18)11-20-15-9-2-1-7-13(15)19(23)24/h1-10,20H,11H2,(H,23,24).
What are the key properties of 2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid?
2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid has a molecular weight of 318.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid is sourced from PubChem (CID 4737279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).