methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate

C18H16FN3O5S — CID 10069837

IUPACmethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1nc(NS(C)(=O)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C18H16FN3O5S/c1-27-18(24)15-16(23)14-13(17(21-15)22-28(2,25)26)8-11(9-20-14)7-10-3-5-12(19)6-4-10/h3-6,8-9,23H,7H2,1-2H3,(H,21,22)
InChIKeyOOPJOBIEDYYMJE-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.22
Rot. Bonds5

About methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate

methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate (PubChem CID 10069837) has the molecular formula C18H16FN3O5S and a molecular weight of 405.41 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate
PubChem CID10069837
Molecular FormulaC18H16FN3O5S
Molecular Weight405.41 g/mol
Exact Mass405.08
IUPAC Namemethyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1nc(NS(C)(=O)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C18H16FN3O5S/c1-27-18(24)15-16(23)14-13(17(21-15)22-28(2,25)26)8-11(9-20-14)7-10-3-5-12(19)6-4-10/h3-6,8-9,23H,7H2,1-2H3,(H,21,22)
InChIKeyOOPJOBIEDYYMJE-UHFFFAOYSA-N
XLogP2.22
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate (CID 10069837) is methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate is COC(=O)c1nc(NS(C)(=O)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate?
The InChIKey is OOPJOBIEDYYMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5S/c1-27-18(24)15-16(23)14-13(17(21-15)22-28(2,25)26)8-11(9-20-14)7-10-3-5-12(19)6-4-10/h3-6,8-9,23H,7H2,1-2H3,(H,21,22).
What are the key properties of methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate?
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate has a molecular weight of 405.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 10069837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).