3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid

C19H16FNO2 — CID 170330558

IUPAC3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid
SMILESCc1ccc(-c2cc(CCC(=O)O)c3ccc(F)cc3n2)cc1
InChIInChI=1S/C19H16FNO2/c1-12-2-4-13(5-3-12)17-10-14(6-9-19(22)23)16-8-7-15(20)11-18(16)21-17/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,23)
InChIKeyIWCDPIFSYWAMJP-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.37
Rot. Bonds4

About 3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid

3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid (PubChem CID 170330558) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid
PubChem CID170330558
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid
SMILESCc1ccc(-c2cc(CCC(=O)O)c3ccc(F)cc3n2)cc1
InChIInChI=1S/C19H16FNO2/c1-12-2-4-13(5-3-12)17-10-14(6-9-19(22)23)16-8-7-15(20)11-18(16)21-17/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,23)
InChIKeyIWCDPIFSYWAMJP-UHFFFAOYSA-N
XLogP4.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696
methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate
CID 122423843
2-(4-cyanophenyl)-7-fluoroquinoline-4-carboxylic acid
CID 16789242
3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid
CID 170330476
3-(6-fluoro-2H-indazol-3-yl)propanoic acid
CID 83909180
3-(2-amino-5-fluorophenyl)propanoic acid
CID 84658918
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
3-[3-(4-methylphenyl)-1,2-thiazol-5-yl]propanoic acid
CID 82479922
3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid
CID 67603952
6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999
ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate
CID 170330860

Frequently Asked Questions

What is the IUPAC name of 3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid?
The IUPAC name of 3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid (CID 170330558) is 3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid.
What is the SMILES notation for 3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid?
The canonical SMILES for 3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid is Cc1ccc(-c2cc(CCC(=O)O)c3ccc(F)cc3n2)cc1.
What is the InChIKey of 3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid?
The InChIKey is IWCDPIFSYWAMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-12-2-4-13(5-3-12)17-10-14(6-9-19(22)23)16-8-7-15(20)11-18(16)21-17/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,23).
What are the key properties of 3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid?
3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid has a molecular weight of 309.34 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid is sourced from PubChem (CID 170330558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).