7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C14H14ClFN2O5 — CID 139766013

IUPAC7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOC(C)OCCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C14H14ClFN2O5/c1-7(22-2)23-4-3-18-6-9(14(20)21)11(19)8-5-10(16)12(15)17-13(8)18/h5-7H,3-4H2,1-2H3,(H,20,21)
InChIKeyGNAQUNHGODULON-UHFFFAOYSA-N
MW344.73 g/mol
LogP1.90
Rot. Bonds6

About 7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 139766013) has the molecular formula C14H14ClFN2O5 and a molecular weight of 344.73 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID139766013
Molecular FormulaC14H14ClFN2O5
Molecular Weight344.73 g/mol
Exact Mass344.06
IUPAC Name7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOC(C)OCCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C14H14ClFN2O5/c1-7(22-2)23-4-3-18-6-9(14(20)21)11(19)8-5-10(16)12(15)17-13(8)18/h5-7H,3-4H2,1-2H3,(H,20,21)
InChIKeyGNAQUNHGODULON-UHFFFAOYSA-N
XLogP1.90
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.73
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6,7-difluoro-1-[2-[2-(1-methoxyethoxy)ethoxy]ethyl]-4-oxoquinoline-3-carboxylic acid
CID 139765993
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10546084
7-chloro-6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 19939831
1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22441073
7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10472289
7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
CID 139649615
7-chloro-1-(3-chloro-1,2,4-thiadiazol-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142434431
7-chloro-6-fluoro-4-oxo-1-(1-oxo-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 169098410
1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10893526
7-chloro-6-fluoro-4-oxo-1-(1,3-thiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 139649612
6-fluoro-1-[2-[2-(1-methoxyethoxy)ethoxy]ethyl]-4-oxo-7-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]quinoline-3-carboxylic acid
CID 139766010
1-(2-carbamoyloxyethyl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
CID 21460303

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 139766013) is 7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is COC(C)OCCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)nc21.
What is the InChIKey of 7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is GNAQUNHGODULON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O5/c1-7(22-2)23-4-3-18-6-9(14(20)21)11(19)8-5-10(16)12(15)17-13(8)18/h5-7H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 344.73 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1-[2-(1-methoxyethoxy)ethyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 139766013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).