4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid

C16H15FN2O2 — CID 79079889

IUPAC4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid
SMILESO=C(O)c1ccc(F)c(NC2CCCc3cccnc32)c1
InChIInChI=1S/C16H15FN2O2/c17-12-7-6-11(16(20)21)9-14(12)19-13-5-1-3-10-4-2-8-18-15(10)13/h2,4,6-9,13,19H,1,3,5H2,(H,20,21)
InChIKeyJQLASJWQFQFXKU-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.41
Rot. Bonds3

About 4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid

4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid (PubChem CID 79079889) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid
PubChem CID79079889
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid
SMILESO=C(O)c1ccc(F)c(NC2CCCc3cccnc32)c1
InChIInChI=1S/C16H15FN2O2/c17-12-7-6-11(16(20)21)9-14(12)19-13-5-1-3-10-4-2-8-18-15(10)13/h2,4,6-9,13,19H,1,3,5H2,(H,20,21)
InChIKeyJQLASJWQFQFXKU-UHFFFAOYSA-N
XLogP3.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079820
N-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079351
3-fluoro-4-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile
CID 79079890
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079954
(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116547254
6-amino-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 166314331
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-N,3-dimethylbenzamide
CID 102773287
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79745802

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid?
The IUPAC name of 4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid (CID 79079889) is 4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid?
The canonical SMILES for 4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid is O=C(O)c1ccc(F)c(NC2CCCc3cccnc32)c1.
What is the InChIKey of 4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid?
The InChIKey is JQLASJWQFQFXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-12-7-6-11(16(20)21)9-14(12)19-13-5-1-3-10-4-2-8-18-15(10)13/h2,4,6-9,13,19H,1,3,5H2,(H,20,21).
What are the key properties of 4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid?
4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid has a molecular weight of 286.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid is sourced from PubChem (CID 79079889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).