N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide

C24H19FN2O4 — CID 54716831

IUPACN-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2ccc(Oc3ccccc3)cc2n(C)c1=O)c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O4/c1-26(16-10-8-15(25)9-11-16)23(29)21-22(28)19-13-12-18(14-20(19)27(2)24(21)30)31-17-6-4-3-5-7-17/h3-14,28H,1-2H3
InChIKeyWIPWPSFFNIYORR-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.45
Rot. Bonds4

About N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide

N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide (PubChem CID 54716831) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide
PubChem CID54716831
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC NameN-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2ccc(Oc3ccccc3)cc2n(C)c1=O)c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O4/c1-26(16-10-8-15(25)9-11-16)23(29)21-22(28)19-13-12-18(14-20(19)27(2)24(21)30)31-17-6-4-3-5-7-17/h3-14,28H,1-2H3
InChIKeyWIPWPSFFNIYORR-UHFFFAOYSA-N
XLogP4.45
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide (CID 54716831) is N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide is CN(C(=O)c1c(O)c2ccc(Oc3ccccc3)cc2n(C)c1=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide?
The InChIKey is WIPWPSFFNIYORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-26(16-10-8-15(25)9-11-16)23(29)21-22(28)19-13-12-18(14-20(19)27(2)24(21)30)31-17-6-4-3-5-7-17/h3-14,28H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide?
N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide is sourced from PubChem (CID 54716831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).