N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

C21H19FN4O3S — CID 143786783

About N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 143786783) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
• PubChem CID: 143786783
• Molecular Formula: C21H19FN4O3S
• Molecular Weight: 426.47 g/mol
• Exact Mass: 426.12
• IUPAC Name: N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
• SMILES: CCNC(=O)c1c(=O)c2cc(F)c(N3CCOCC3)nc2n2c1sc1ccccc12
• InChI: InChI=1S/C21H19FN4O3S/c1-2-23-20(28)16-17(27)12-11-13(22)19(25-7-9-29-10-8-25)24-18(12)26-14-5-3-4-6-15(14)30-21(16)26/h3-6,11H,2,7-10H2,1H3,(H,23,28)
• InChIKey: AZYXNRIIFIWXKG-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.47
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?

The IUPAC name of N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (CID 143786783) is N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.

What is the SMILES notation for N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?

The canonical SMILES for N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is CCNC(=O)c1c(=O)c2cc(F)c(N3CCOCC3)nc2n2c1sc1ccccc12.

What is the InChIKey of N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?

The InChIKey is AZYXNRIIFIWXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c1-2-23-20(28)16-17(27)12-11-13(22)19(25-7-9-29-10-8-25)24-18(12)26-14-5-3-4-6-15(14)30-21(16)26/h3-6,11H,2,7-10H2,1H3,(H,23,28).

What are the key properties of N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?

N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 143786783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).