3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid

C16H10F2N2O2 — CID 46397774

IUPAC3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2ccnc3c(F)cc(F)cc23)c1
InChIInChI=1S/C16H10F2N2O2/c17-10-7-12-14(4-5-19-15(12)13(18)8-10)20-11-3-1-2-9(6-11)16(21)22/h1-8H,(H,19,20)(H,21,22)
InChIKeyHIAUWWHAVSUINZ-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.95
Rot. Bonds3

About 3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid

3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid (PubChem CID 46397774) has the molecular formula C16H10F2N2O2 and a molecular weight of 300.26 g/mol. Its IUPAC name is 3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid
PubChem CID46397774
Molecular FormulaC16H10F2N2O2
Molecular Weight300.26 g/mol
Exact Mass300.07
IUPAC Name3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2ccnc3c(F)cc(F)cc23)c1
InChIInChI=1S/C16H10F2N2O2/c17-10-7-12-14(4-5-19-15(12)13(18)8-10)20-11-3-1-2-9(6-11)16(21)22/h1-8H,(H,19,20)(H,21,22)
InChIKeyHIAUWWHAVSUINZ-UHFFFAOYSA-N
XLogP3.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(6,8-difluoroquinolin-4-yl)amino]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

6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
CID 50878001
6,8-difluoro-N-(3-nitrophenyl)quinolin-4-amine
CID 50878017
3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)benzoic acid
CID 58086793
3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487427
3-[[6-chloro-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 66487385
N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 170001867
4-[(8-fluoroquinolin-4-yl)amino]benzamide
CID 43833030
3-[(2-chloro-3-pyridinyl)amino]benzoic acid
CID 71564651
6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid
CID 23239670
3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 39824436
2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide
CID 133494841

Frequently Asked Questions

What is the IUPAC name of 3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid?
The IUPAC name of 3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid (CID 46397774) is 3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid?
The canonical SMILES for 3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid is O=C(O)c1cccc(Nc2ccnc3c(F)cc(F)cc23)c1.
What is the InChIKey of 3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid?
The InChIKey is HIAUWWHAVSUINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O2/c17-10-7-12-14(4-5-19-15(12)13(18)8-10)20-11-3-1-2-9(6-11)16(21)22/h1-8H,(H,19,20)(H,21,22).
What are the key properties of 3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid?
3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid has a molecular weight of 300.26 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid is sourced from PubChem (CID 46397774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).