7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C18H16F2N2O3 — CID 110888737

IUPAC7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCC(O)c2ccc(F)cc2)c2ccc(F)cc2N1
InChIInChI=1S/C18H16F2N2O3/c19-11-3-1-10(2-4-11)16(23)9-21-18(25)14-8-17(24)22-15-7-12(20)5-6-13(14)15/h1-7,14,16,23H,8-9H2,(H,21,25)(H,22,24)
InChIKeyHTGVAFJGQXUFID-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.24
Rot. Bonds4

About 7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 110888737) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID110888737
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCC(O)c2ccc(F)cc2)c2ccc(F)cc2N1
InChIInChI=1S/C18H16F2N2O3/c19-11-3-1-10(2-4-11)16(23)9-21-18(25)14-8-17(24)22-15-7-12(20)5-6-13(14)15/h1-7,14,16,23H,8-9H2,(H,21,25)(H,22,24)
InChIKeyHTGVAFJGQXUFID-UHFFFAOYSA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 110888737) is 7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCC(O)c2ccc(F)cc2)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is HTGVAFJGQXUFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c19-11-3-1-10(2-4-11)16(23)9-21-18(25)14-8-17(24)22-15-7-12(20)5-6-13(14)15/h1-7,14,16,23H,8-9H2,(H,21,25)(H,22,24).
What are the key properties of 7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 346.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 110888737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).