5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid

C26H20FN5O4 — CID 56959143

IUPAC5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc2cc(-c3noc(-c4ccncc4)n3)ccc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C26H20FN5O4/c27-18-6-8-19(9-7-18)32-22(3-1-2-4-23(33)34)29-21-15-17(5-10-20(21)26(32)35)24-30-25(36-31-24)16-11-13-28-14-12-16/h5-15H,1-4H2,(H,33,34)
InChIKeyQUHHCFYTRGTUIG-UHFFFAOYSA-N
MW485.48 g/mol
LogP4.43
Rot. Bonds8

About 5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid

5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid (PubChem CID 56959143) has the molecular formula C26H20FN5O4 and a molecular weight of 485.48 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid
PubChem CID56959143
Molecular FormulaC26H20FN5O4
Molecular Weight485.48 g/mol
Exact Mass485.15
IUPAC Name5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid
SMILESO=C(O)CCCCc1nc2cc(-c3noc(-c4ccncc4)n3)ccc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C26H20FN5O4/c27-18-6-8-19(9-7-18)32-22(3-1-2-4-23(33)34)29-21-15-17(5-10-20(21)26(32)35)24-30-25(36-31-24)16-11-13-28-14-12-16/h5-15H,1-4H2,(H,33,34)
InChIKeyQUHHCFYTRGTUIG-UHFFFAOYSA-N
XLogP4.43
TPSA124.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid?
The IUPAC name of 5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid (CID 56959143) is 5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid?
The canonical SMILES for 5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid is O=C(O)CCCCc1nc2cc(-c3noc(-c4ccncc4)n3)ccc2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid?
The InChIKey is QUHHCFYTRGTUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O4/c27-18-6-8-19(9-7-18)32-22(3-1-2-4-23(33)34)29-21-15-17(5-10-20(21)26(32)35)24-30-25(36-31-24)16-11-13-28-14-12-16/h5-15H,1-4H2,(H,33,34).
What are the key properties of 5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid?
5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid has a molecular weight of 485.48 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-4-oxo-7-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)quinazolin-2-yl]pentanoic acid is sourced from PubChem (CID 56959143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).