3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid

C20H23FN2O2 — CID 59369261

IUPAC3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid
SMILESCN(Cc1ccc2c(c1)NCCC2)c1ccc(CCC(=O)O)c(F)c1
InChIInChI=1S/C20H23FN2O2/c1-23(13-14-4-5-16-3-2-10-22-19(16)11-14)17-8-6-15(18(21)12-17)7-9-20(24)25/h4-6,8,11-12,22H,2-3,7,9-10,13H2,1H3,(H,24,25)
InChIKeyOMJKULKOZGBJBE-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.84
Rot. Bonds6

About 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid

3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid (PubChem CID 59369261) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid
PubChem CID59369261
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid
SMILESCN(Cc1ccc2c(c1)NCCC2)c1ccc(CCC(=O)O)c(F)c1
InChIInChI=1S/C20H23FN2O2/c1-23(13-14-4-5-16-3-2-10-22-19(16)11-14)17-8-6-15(18(21)12-17)7-9-20(24)25/h4-6,8,11-12,22H,2-3,7,9-10,13H2,1H3,(H,24,25)
InChIKeyOMJKULKOZGBJBE-UHFFFAOYSA-N
XLogP3.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid with MolForge

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Related Compounds

2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide
CID 81215351
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-7-yl)ethane-1,2-diamine
CID 81215028
N-(4-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 81215309
N-(2-methoxyethyl)-2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide
CID 81214860
ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate
CID 59369052
2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
CID 39226276
3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 82305598
sodium 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
CID 59368663
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
CID 81214955
7-octyl-1,2,3,4-tetrahydroquinoline
CID 106778470
tert-butyl 7-[[4-(3-ethoxy-3-oxopropyl)-3-fluoro-N-methylanilino]methyl]-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59368795
ethyl 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
CID 59368737

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid (CID 59369261) is 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid is CN(Cc1ccc2c(c1)NCCC2)c1ccc(CCC(=O)O)c(F)c1.
What is the InChIKey of 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid?
The InChIKey is OMJKULKOZGBJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-23(13-14-4-5-16-3-2-10-22-19(16)11-14)17-8-6-15(18(21)12-17)7-9-20(24)25/h4-6,8,11-12,22H,2-3,7,9-10,13H2,1H3,(H,24,25).
What are the key properties of 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid?
3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid has a molecular weight of 342.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 59369261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).