4-(benzo[cd]indol-2-ylamino)benzoic acid

C18H12N2O2 — CID 930868

IUPAC4-(benzo[cd]indol-2-ylamino)benzoic acid
SMILESO=C(O)c1ccc(NC2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C18H12N2O2/c21-18(22)12-7-9-13(10-8-12)19-17-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,19,20)(H,21,22)
InChIKeyHUJDUXHMVGBSCA-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.04
Rot. Bonds2

About 4-(benzo[cd]indol-2-ylamino)benzoic acid

4-(benzo[cd]indol-2-ylamino)benzoic acid (PubChem CID 930868) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(benzo[cd]indol-2-ylamino)benzoic acid.

Molecular Properties

Compound Name4-(benzo[cd]indol-2-ylamino)benzoic acid
PubChem CID930868
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name4-(benzo[cd]indol-2-ylamino)benzoic acid
SMILESO=C(O)c1ccc(NC2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C18H12N2O2/c21-18(22)12-7-9-13(10-8-12)19-17-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,19,20)(H,21,22)
InChIKeyHUJDUXHMVGBSCA-UHFFFAOYSA-N
XLogP4.04
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzo[cd]indol-2-ylamino)benzoic acid?
The IUPAC name of 4-(benzo[cd]indol-2-ylamino)benzoic acid (CID 930868) is 4-(benzo[cd]indol-2-ylamino)benzoic acid.
What is the SMILES notation for 4-(benzo[cd]indol-2-ylamino)benzoic acid?
The canonical SMILES for 4-(benzo[cd]indol-2-ylamino)benzoic acid is O=C(O)c1ccc(NC2=Nc3cccc4cccc2c34)cc1.
What is the InChIKey of 4-(benzo[cd]indol-2-ylamino)benzoic acid?
The InChIKey is HUJDUXHMVGBSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-18(22)12-7-9-13(10-8-12)19-17-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,19,20)(H,21,22).
What are the key properties of 4-(benzo[cd]indol-2-ylamino)benzoic acid?
4-(benzo[cd]indol-2-ylamino)benzoic acid has a molecular weight of 288.31 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzo[cd]indol-2-ylamino)benzoic acid is sourced from PubChem (CID 930868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).