7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one

C26H26FN5O4S — CID 78121950

IUPAC7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one
SMILESCOc1ccc2ncc(F)c(CCN3CCC4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)OC4C3)c2n1
InChIInChI=1S/C26H26FN5O4S/c1-35-24-5-3-19-25(30-24)17(18(27)11-28-19)7-9-31-8-6-15-12-32(26(34)36-21(15)13-31)16-2-4-22-20(10-16)29-23(33)14-37-22/h2-5,10-11,15,21H,6-9,12-14H2,1H3,(H,29,33)
InChIKeyLXZQYUTYKBHESY-UHFFFAOYSA-N
MW523.59 g/mol
LogP3.71
Rot. Bonds5

About 7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one

7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one (PubChem CID 78121950) has the molecular formula C26H26FN5O4S and a molecular weight of 523.59 g/mol. Its IUPAC name is 7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one.

Molecular Properties

Compound Name7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one
PubChem CID78121950
Molecular FormulaC26H26FN5O4S
Molecular Weight523.59 g/mol
Exact Mass523.17
IUPAC Name7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one
SMILESCOc1ccc2ncc(F)c(CCN3CCC4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)OC4C3)c2n1
InChIInChI=1S/C26H26FN5O4S/c1-35-24-5-3-19-25(30-24)17(18(27)11-28-19)7-9-31-8-6-15-12-32(26(34)36-21(15)13-31)16-2-4-22-20(10-16)29-23(33)14-37-22/h2-5,10-11,15,21H,6-9,12-14H2,1H3,(H,29,33)
InChIKeyLXZQYUTYKBHESY-UHFFFAOYSA-N
XLogP3.71
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one?
The IUPAC name of 7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one (CID 78121950) is 7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one.
What is the SMILES notation for 7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one?
The canonical SMILES for 7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one is COc1ccc2ncc(F)c(CCN3CCC4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)OC4C3)c2n1.
What is the InChIKey of 7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one?
The InChIKey is LXZQYUTYKBHESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4S/c1-35-24-5-3-19-25(30-24)17(18(27)11-28-19)7-9-31-8-6-15-12-32(26(34)36-21(15)13-31)16-2-4-22-20(10-16)29-23(33)14-37-22/h2-5,10-11,15,21H,6-9,12-14H2,1H3,(H,29,33).
What are the key properties of 7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one?
7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one has a molecular weight of 523.59 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-4,4a,5,6,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-2-one is sourced from PubChem (CID 78121950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).