4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid

C21H17FN4O2 — CID 145393043

IUPAC4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid
SMILESN/C=C(/c1ccc(C(=O)O)cc1)N(N)c1ccc2[nH]c3ccc(F)cc3c2c1
InChIInChI=1S/C21H17FN4O2/c22-14-5-7-18-16(9-14)17-10-15(6-8-19(17)25-18)26(24)20(11-23)12-1-3-13(4-2-12)21(27)28/h1-11,25H,23-24H2,(H,27,28)/b20-11-
InChIKeyXKWOOPWFDJQXPK-JAIQZWGSSA-N
MW376.39 g/mol
LogP3.80
Rot. Bonds4

About 4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid

4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid (PubChem CID 145393043) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid
PubChem CID145393043
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid
SMILESN/C=C(/c1ccc(C(=O)O)cc1)N(N)c1ccc2[nH]c3ccc(F)cc3c2c1
InChIInChI=1S/C21H17FN4O2/c22-14-5-7-18-16(9-14)17-10-15(6-8-19(17)25-18)26(24)20(11-23)12-1-3-13(4-2-12)21(27)28/h1-11,25H,23-24H2,(H,27,28)/b20-11-
InChIKeyXKWOOPWFDJQXPK-JAIQZWGSSA-N
XLogP3.80
TPSA108.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]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

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid?
The IUPAC name of 4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid (CID 145393043) is 4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid?
The canonical SMILES for 4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid is N/C=C(/c1ccc(C(=O)O)cc1)N(N)c1ccc2[nH]c3ccc(F)cc3c2c1.
What is the InChIKey of 4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid?
The InChIKey is XKWOOPWFDJQXPK-JAIQZWGSSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-14-5-7-18-16(9-14)17-10-15(6-8-19(17)25-18)26(24)20(11-23)12-1-3-13(4-2-12)21(27)28/h1-11,25H,23-24H2,(H,27,28)/b20-11-.
What are the key properties of 4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid?
4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid has a molecular weight of 376.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-amino-1-[amino-(6-fluoro-9H-carbazol-3-yl)amino]ethenyl]benzoic acid is sourced from PubChem (CID 145393043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).