4-[(7-fluoroquinolin-4-yl)amino]benzoic acid

C16H11FN2O2 — CID 54773030

IUPAC4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccnc3cc(F)ccc23)cc1
InChIInChI=1S/C16H11FN2O2/c17-11-3-6-13-14(7-8-18-15(13)9-11)19-12-4-1-10(2-5-12)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyQJIJAMGPDVSBIJ-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.82
Rot. Bonds3

About 4-[(7-fluoroquinolin-4-yl)amino]benzoic acid

4-[(7-fluoroquinolin-4-yl)amino]benzoic acid (PubChem CID 54773030) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-[(7-fluoroquinolin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
PubChem CID54773030
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccnc3cc(F)ccc23)cc1
InChIInChI=1S/C16H11FN2O2/c17-11-3-6-13-14(7-8-18-15(13)9-11)19-12-4-1-10(2-5-12)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyQJIJAMGPDVSBIJ-UHFFFAOYSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
4-(2,5-difluoroanilino)benzoic acid
CID 62231203
4-(quinolin-5-ylamino)benzoic acid
CID 62230854
2-[(7-fluoroquinolin-4-yl)amino]acetic acid
CID 83837512
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
7-fluoroquinoline-4-carboxylic acid
CID 18475507
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid
CID 53269521

Frequently Asked Questions

What is the IUPAC name of 4-[(7-fluoroquinolin-4-yl)amino]benzoic acid?
The IUPAC name of 4-[(7-fluoroquinolin-4-yl)amino]benzoic acid (CID 54773030) is 4-[(7-fluoroquinolin-4-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(7-fluoroquinolin-4-yl)amino]benzoic acid?
The canonical SMILES for 4-[(7-fluoroquinolin-4-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2ccnc3cc(F)ccc23)cc1.
What is the InChIKey of 4-[(7-fluoroquinolin-4-yl)amino]benzoic acid?
The InChIKey is QJIJAMGPDVSBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-11-3-6-13-14(7-8-18-15(13)9-11)19-12-4-1-10(2-5-12)16(20)21/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 4-[(7-fluoroquinolin-4-yl)amino]benzoic acid?
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid has a molecular weight of 282.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-fluoroquinolin-4-yl)amino]benzoic acid is sourced from PubChem (CID 54773030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).