3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid

C20H16FN3O2 — CID 170319227

IUPAC3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid
SMILESCNc1cc(F)cc2c1[nH]c1ccc(Nc3cccc(C(=O)O)c3)cc12
InChIInChI=1S/C20H16FN3O2/c1-22-18-9-12(21)8-16-15-10-14(5-6-17(15)24-19(16)18)23-13-4-2-3-11(7-13)20(25)26/h2-10,22-24H,1H3,(H,25,26)
InChIKeyDQVMUQMCCDTKHR-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.94
Rot. Bonds4

About 3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid

3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid (PubChem CID 170319227) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid
PubChem CID170319227
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid
SMILESCNc1cc(F)cc2c1[nH]c1ccc(Nc3cccc(C(=O)O)c3)cc12
InChIInChI=1S/C20H16FN3O2/c1-22-18-9-12(21)8-16-15-10-14(5-6-17(15)24-19(16)18)23-13-4-2-3-11(7-13)20(25)26/h2-10,22-24H,1H3,(H,25,26)
InChIKeyDQVMUQMCCDTKHR-UHFFFAOYSA-N
XLogP4.94
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid?
The IUPAC name of 3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid (CID 170319227) is 3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid.
What is the SMILES notation for 3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid?
The canonical SMILES for 3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid is CNc1cc(F)cc2c1[nH]c1ccc(Nc3cccc(C(=O)O)c3)cc12.
What is the InChIKey of 3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid?
The InChIKey is DQVMUQMCCDTKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-22-18-9-12(21)8-16-15-10-14(5-6-17(15)24-19(16)18)23-13-4-2-3-11(7-13)20(25)26/h2-10,22-24H,1H3,(H,25,26).
What are the key properties of 3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid?
3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid has a molecular weight of 349.37 g/mol, XLogP of 4.94, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]amino]benzoic acid is sourced from PubChem (CID 170319227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).