3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide

C18H15FN4O5S — CID 168873884

IUPAC3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2c3c(cnc2n1)COC(=O)N3Cc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C18H15FN4O5S/c1-27-15-5-4-13-16-11(7-21-17(13)22-15)9-28-18(24)23(16)8-10-2-3-12(6-14(10)19)29(20,25)26/h2-7H,8-9H2,1H3,(H2,20,25,26)
InChIKeySVGXPBIEPRYCSZ-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.08
Rot. Bonds4

About 3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide

3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide (PubChem CID 168873884) has the molecular formula C18H15FN4O5S and a molecular weight of 418.41 g/mol. Its IUPAC name is 3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
PubChem CID168873884
Molecular FormulaC18H15FN4O5S
Molecular Weight418.41 g/mol
Exact Mass418.07
IUPAC Name3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
SMILESCOc1ccc2c3c(cnc2n1)COC(=O)N3Cc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C18H15FN4O5S/c1-27-15-5-4-13-16-11(7-21-17(13)22-15)9-28-18(24)23(16)8-10-2-3-12(6-14(10)19)29(20,25)26/h2-7H,8-9H2,1H3,(H2,20,25,26)
InChIKeySVGXPBIEPRYCSZ-UHFFFAOYSA-N
XLogP2.08
TPSA124.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide (CID 168873884) is 3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide is COc1ccc2c3c(cnc2n1)COC(=O)N3Cc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?
The InChIKey is SVGXPBIEPRYCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O5S/c1-27-15-5-4-13-16-11(7-21-17(13)22-15)9-28-18(24)23(16)8-10-2-3-12(6-14(10)19)29(20,25)26/h2-7H,8-9H2,1H3,(H2,20,25,26).
What are the key properties of 3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?
3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide has a molecular weight of 418.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(8-methoxy-2-oxo-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 168873884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).