7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride

C17H17ClFN5O4S — CID 11123093

IUPAC7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride
SMILESNCC1C[NH+](c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)CCO1.[Cl-]
InChIInChI=1S/C17H16FN5O4S.ClH/c18-12-5-10-13(24)11(16(25)26)8-23(17-20-1-4-28-17)14(10)21-15(12)22-2-3-27-9(6-19)7-22;/h1,4-5,8-9H,2-3,6-7,19H2,(H,25,26);1H
InChIKeyGWFFFORAPWOTTJ-UHFFFAOYSA-N
MW441.87 g/mol
LogP-3.44
Rot. Bonds4

About 7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride

7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride (PubChem CID 11123093) has the molecular formula C17H17ClFN5O4S and a molecular weight of 441.87 g/mol. Its IUPAC name is 7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride.

Molecular Properties

Compound Name7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride
PubChem CID11123093
Molecular FormulaC17H17ClFN5O4S
Molecular Weight441.87 g/mol
Exact Mass441.07
IUPAC Name7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride
SMILESNCC1C[NH+](c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)CCO1.[Cl-]
InChIInChI=1S/C17H16FN5O4S.ClH/c18-12-5-10-13(24)11(16(25)26)8-23(17-20-1-4-28-17)14(10)21-15(12)22-2-3-27-9(6-19)7-22;/h1,4-5,8-9H,2-3,6-7,19H2,(H,25,26);1H
InChIKeyGWFFFORAPWOTTJ-UHFFFAOYSA-N
XLogP-3.44
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 5-3.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride?
The IUPAC name of 7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride (CID 11123093) is 7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride.
What is the SMILES notation for 7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride?
The canonical SMILES for 7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride is NCC1C[NH+](c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)CCO1.[Cl-].
What is the InChIKey of 7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride?
The InChIKey is GWFFFORAPWOTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O4S.ClH/c18-12-5-10-13(24)11(16(25)26)8-23(17-20-1-4-28-17)14(10)21-15(12)22-2-3-27-9(6-19)7-22;/h1,4-5,8-9H,2-3,6-7,19H2,(H,25,26);1H.
What are the key properties of 7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride?
7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride has a molecular weight of 441.87 g/mol, XLogP of -3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(aminomethyl)morpholin-4-ium-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid chloride is sourced from PubChem (CID 11123093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).