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

C17H17ClFN5O4S — CID 45262545

IUPAC7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCl.NCC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)CCO1
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
LogP1.27
Rot. Bonds4

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

7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 45262545) has the molecular formula C17H17ClFN5O4S and a molecular weight of 441.87 g/mol. Its IUPAC name is 7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
PubChem CID45262545
Molecular FormulaC17H17ClFN5O4S
Molecular Weight441.87 g/mol
Exact Mass441.07
IUPAC Name7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCl.NCC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)CCO1
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
XLogP1.27
TPSA123.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 45262545) is 7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is Cl.NCC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)CCO1.
What is the InChIKey of 7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
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-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 441.87 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(aminomethyl)morpholin-4-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45262545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).