ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate

C19H25N3O6S — CID 14287951

IUPACethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2nc(S(=O)(=O)CC)c(N3CCOCC3)cc2c1=O
InChIInChI=1S/C19H25N3O6S/c1-4-21-12-14(19(24)28-5-2)16(23)13-11-15(22-7-9-27-10-8-22)18(20-17(13)21)29(25,26)6-3/h11-12H,4-10H2,1-3H3
InChIKeyZRAPECBDWVMAHS-UHFFFAOYSA-N
MW423.49 g/mol
LogP1.22
Rot. Bonds6

About ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 14287951) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID14287951
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Nameethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2nc(S(=O)(=O)CC)c(N3CCOCC3)cc2c1=O
InChIInChI=1S/C19H25N3O6S/c1-4-21-12-14(19(24)28-5-2)16(23)13-11-15(22-7-9-27-10-8-22)18(20-17(13)21)29(25,26)6-3/h11-12H,4-10H2,1-3H3
InChIKeyZRAPECBDWVMAHS-UHFFFAOYSA-N
XLogP1.22
TPSA107.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 7-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate
CID 141190183
ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 139562601
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
CID 141190210
(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
CID 140944007
ethyl 7-ethenyl-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 15636889
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 154356871
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
CID 20794343
ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847897

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 14287951) is ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CC)c2nc(S(=O)(=O)CC)c(N3CCOCC3)cc2c1=O.
What is the InChIKey of ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is ZRAPECBDWVMAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-4-21-12-14(19(24)28-5-2)16(23)13-11-15(22-7-9-27-10-8-22)18(20-17(13)21)29(25,26)6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 14287951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).