ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane

C51H53F2N5O10 — CID 159231597

IUPACethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane
SMILESC.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3COC)cc2n(C)c1=O.CCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3COC)cc2n(C)c1=O
InChIInChI=1S/C28H25FN2O6.C22H24FN3O4.CH4/c1-4-36-28(34)23-25(37-27(33)18-8-6-5-7-9-18)24-22(31(2)26(23)32)13-17(15-30-24)12-19-10-11-21(29)14-20(19)16-35-3;1-4-7-24-21(28)18-20(27)19-17(26(2)22(18)29)9-13(11-25-19)8-14-5-6-16(23)10-15(14)12-30-3;/h5-11,13-15H,4,12,16H2,1-3H3;5-6,9-11,27H,4,7-8,12H2,1-3H3,(H,24,28);1H4
InChIKeyKSYZNEJGIWNNJB-UHFFFAOYSA-N
MW934.01 g/mol
LogP7.50
Rot. Bonds15

About ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane

ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane (PubChem CID 159231597) has the molecular formula C51H53F2N5O10 and a molecular weight of 934.01 g/mol. Its IUPAC name is ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane.

Molecular Properties

Compound Nameethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane
PubChem CID159231597
Molecular FormulaC51H53F2N5O10
Molecular Weight934.01 g/mol
Exact Mass933.38
IUPAC Nameethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane
SMILESC.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3COC)cc2n(C)c1=O.CCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3COC)cc2n(C)c1=O
InChIInChI=1S/C28H25FN2O6.C22H24FN3O4.CH4/c1-4-36-28(34)23-25(37-27(33)18-8-6-5-7-9-18)24-22(31(2)26(23)32)13-17(15-30-24)12-19-10-11-21(29)14-20(19)16-35-3;1-4-7-24-21(28)18-20(27)19-17(26(2)22(18)29)9-13(11-25-19)8-14-5-6-16(23)10-15(14)12-30-3;/h5-11,13-15H,4,12,16H2,1-3H3;5-6,9-11,27H,4,7-8,12H2,1-3H3,(H,24,28);1H4
InChIKeyKSYZNEJGIWNNJB-UHFFFAOYSA-N
XLogP7.50
TPSA190.17 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500934.01
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane 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 ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane?
The IUPAC name of ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane (CID 159231597) is ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane.
What is the SMILES notation for ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane?
The canonical SMILES for ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane is C.CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3COC)cc2n(C)c1=O.CCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3COC)cc2n(C)c1=O.
What is the InChIKey of ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane?
The InChIKey is KSYZNEJGIWNNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O6.C22H24FN3O4.CH4/c1-4-36-28(34)23-25(37-27(33)18-8-6-5-7-9-18)24-22(31(2)26(23)32)13-17(15-30-24)12-19-10-11-21(29)14-20(19)16-35-3;1-4-7-24-21(28)18-20(27)19-17(26(2)22(18)29)9-13(11-25-19)8-14-5-6-16(23)10-15(14)12-30-3;/h5-11,13-15H,4,12,16H2,1-3H3;5-6,9-11,27H,4,7-8,12H2,1-3H3,(H,24,28);1H4.
What are the key properties of ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane?
ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane has a molecular weight of 934.01 g/mol, XLogP of 7.50, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzoyloxy-7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate;7-[[4-fluoro-2-(methoxymethyl)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-N-propyl-1,5-naphthyridine-3-carboxamide;methane is sourced from PubChem (CID 159231597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).