3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid

C19H16FNO2 — CID 67603952

IUPAC3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid
SMILESCc1nc2cccc(CCC(=O)O)c2cc1-c1cccc(F)c1
InChIInChI=1S/C19H16FNO2/c1-12-16(14-5-2-6-15(20)10-14)11-17-13(8-9-19(22)23)4-3-7-18(17)21-12/h2-7,10-11H,8-9H2,1H3,(H,22,23)
InChIKeyLRKIVJYROANENV-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.37
Rot. Bonds4

About 3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid

3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid (PubChem CID 67603952) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid
PubChem CID67603952
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid
SMILESCc1nc2cccc(CCC(=O)O)c2cc1-c1cccc(F)c1
InChIInChI=1S/C19H16FNO2/c1-12-16(14-5-2-6-15(20)10-14)11-17-13(8-9-19(22)23)4-3-7-18(17)21-12/h2-7,10-11H,8-9H2,1H3,(H,22,23)
InChIKeyLRKIVJYROANENV-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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid?
The IUPAC name of 3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid (CID 67603952) is 3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid is Cc1nc2cccc(CCC(=O)O)c2cc1-c1cccc(F)c1.
What is the InChIKey of 3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid?
The InChIKey is LRKIVJYROANENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-12-16(14-5-2-6-15(20)10-14)11-17-13(8-9-19(22)23)4-3-7-18(17)21-12/h2-7,10-11H,8-9H2,1H3,(H,22,23).
What are the key properties of 3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid?
3-[3-(3-fluorophenyl)-2-methylquinolin-5-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-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid is sourced from PubChem (CID 67603952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).