1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C18H11F3N2O4 — CID 14883362

IUPAC1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESC=C(CO)c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F
InChIInChI=1S/C18H11F3N2O4/c1-8(7-24)15-13(21)5-10-16(25)11(18(26)27)6-23(17(10)22-15)14-3-2-9(19)4-12(14)20/h2-6,24H,1,7H2,(H,26,27)
InChIKeyQXGALADYUKYZEK-UHFFFAOYSA-N
MW376.29 g/mol
LogP2.51
Rot. Bonds4

About 1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 14883362) has the molecular formula C18H11F3N2O4 and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID14883362
Molecular FormulaC18H11F3N2O4
Molecular Weight376.29 g/mol
Exact Mass376.07
IUPAC Name1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESC=C(CO)c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F
InChIInChI=1S/C18H11F3N2O4/c1-8(7-24)15-13(21)5-10-16(25)11(18(26)27)6-23(17(10)22-15)14-3-2-9(19)4-12(14)20/h2-6,24H,1,7H2,(H,26,27)
InChIKeyQXGALADYUKYZEK-UHFFFAOYSA-N
XLogP2.51
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Nalidixic Acid
CID 4421
1,8-Naphthyridine-3-carboxylic acid, 7-(1alpha,5alpha,6alpha)-6-amino-3-azabicyclo3.1.0hex-3-yl-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-
CID 62959
Tosufloxacin
CID 5517
Amfonelic Acid
CID 2137
Nalidixate Sodium
CID 23675318
Nalidixate Sodium Anhydrous
CID 3864541
4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 5373672
7-(6-Amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 481696
Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 1268243
Prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3981051
Methyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 604668
7-(5-Amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 481699

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 14883362) is 1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is C=C(CO)c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is QXGALADYUKYZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O4/c1-8(7-24)15-13(21)5-10-16(25)11(18(26)27)6-23(17(10)22-15)14-3-2-9(19)4-12(14)20/h2-6,24H,1,7H2,(H,26,27).
What are the key properties of 1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 376.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 14883362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).