3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid

C24H25FN2O4 — CID 10160836

IUPAC3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid
SMILESCc1oc(-c2ccc(F)cc2)nc1CCOc1cccc2c1CCCN2CCC(=O)O
InChIInChI=1S/C24H25FN2O4/c1-16-20(26-24(31-16)17-7-9-18(25)10-8-17)12-15-30-22-6-2-5-21-19(22)4-3-13-27(21)14-11-23(28)29/h2,5-10H,3-4,11-15H2,1H3,(H,28,29)
InChIKeyQTIUZONYPUAZJH-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.64
Rot. Bonds8

About 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid

3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid (PubChem CID 10160836) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid
PubChem CID10160836
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid
SMILESCc1oc(-c2ccc(F)cc2)nc1CCOc1cccc2c1CCCN2CCC(=O)O
InChIInChI=1S/C24H25FN2O4/c1-16-20(26-24(31-16)17-7-9-18(25)10-8-17)12-15-30-22-6-2-5-21-19(22)4-3-13-27(21)14-11-23(28)29/h2,5-10H,3-4,11-15H2,1H3,(H,28,29)
InChIKeyQTIUZONYPUAZJH-UHFFFAOYSA-N
XLogP4.64
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid?
The IUPAC name of 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid (CID 10160836) is 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid is Cc1oc(-c2ccc(F)cc2)nc1CCOc1cccc2c1CCCN2CCC(=O)O.
What is the InChIKey of 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid?
The InChIKey is QTIUZONYPUAZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-16-20(26-24(31-16)17-7-9-18(25)10-8-17)12-15-30-22-6-2-5-21-19(22)4-3-13-27(21)14-11-23(28)29/h2,5-10H,3-4,11-15H2,1H3,(H,28,29).
What are the key properties of 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid?
3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid has a molecular weight of 424.47 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid is sourced from PubChem (CID 10160836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).