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

C18H12F2N2O4 — CID 14883361

IUPAC6-fluoro-1-(4-fluorophenyl)-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)cc1
InChIInChI=1S/C18H12F2N2O4/c1-9(8-23)15-14(20)6-12-16(24)13(18(25)26)7-22(17(12)21-15)11-4-2-10(19)3-5-11/h2-7,23H,1,8H2,(H,25,26)
InChIKeyWZKUIFSKHHFHOG-UHFFFAOYSA-N
MW358.30 g/mol
LogP2.37
Rot. Bonds4

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

6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 14883361) has the molecular formula C18H12F2N2O4 and a molecular weight of 358.30 g/mol. Its IUPAC name is 6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID14883361
Molecular FormulaC18H12F2N2O4
Molecular Weight358.30 g/mol
Exact Mass358.08
IUPAC Name6-fluoro-1-(4-fluorophenyl)-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)cc1
InChIInChI=1S/C18H12F2N2O4/c1-9(8-23)15-14(20)6-12-16(24)13(18(25)26)7-22(17(12)21-15)11-4-2-10(19)3-5-11/h2-7,23H,1,8H2,(H,25,26)
InChIKeyWZKUIFSKHHFHOG-UHFFFAOYSA-N
XLogP2.37
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

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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 6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 14883361) is 6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-(4-fluorophenyl)-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)cc1.
What is the InChIKey of 6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is WZKUIFSKHHFHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O4/c1-9(8-23)15-14(20)6-12-16(24)13(18(25)26)7-22(17(12)21-15)11-4-2-10(19)3-5-11/h2-7,23H,1,8H2,(H,25,26).
What are the key properties of 6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 358.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-fluorophenyl)-7-(3-hydroxyprop-1-en-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 14883361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).