propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate

C19H16FNO3 — CID 166442403

IUPACpropyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCCOC(=O)c1c(-c2ccccc2F)[nH]c2ccccc2c1=O
InChIInChI=1S/C19H16FNO3/c1-2-11-24-19(23)16-17(12-7-3-5-9-14(12)20)21-15-10-6-4-8-13(15)18(16)22/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyGUKIKSXLRYJCEX-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.90
Rot. Bonds4

About propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate

propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 166442403) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate
PubChem CID166442403
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Namepropyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCCOC(=O)c1c(-c2ccccc2F)[nH]c2ccccc2c1=O
InChIInChI=1S/C19H16FNO3/c1-2-11-24-19(23)16-17(12-7-3-5-9-14(12)20)21-15-10-6-4-8-13(15)18(16)22/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyGUKIKSXLRYJCEX-UHFFFAOYSA-N
XLogP3.90
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate (CID 166442403) is propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate is CCCOC(=O)c1c(-c2ccccc2F)[nH]c2ccccc2c1=O.
What is the InChIKey of propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is GUKIKSXLRYJCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-2-11-24-19(23)16-17(12-7-3-5-9-14(12)20)21-15-10-6-4-8-13(15)18(16)22/h3-10H,2,11H2,1H3,(H,21,22).
What are the key properties of propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate?
propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-fluorophenyl)-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 166442403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).