(6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate

C14H15BrN2O4 — CID 68799266

IUPAC(6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cn(CC)c2nc(C)c(Br)cc2c1=O
InChIInChI=1S/C14H15BrN2O4/c1-4-17-7-11(21-14(19)20-5-2)12(18)9-6-10(15)8(3)16-13(9)17/h6-7H,4-5H2,1-3H3
InChIKeyYEWXHLUHXVWNMZ-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.02
Rot. Bonds3

About (6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate

(6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate (PubChem CID 68799266) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is (6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate.

Molecular Properties

Compound Name(6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate
PubChem CID68799266
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name(6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cn(CC)c2nc(C)c(Br)cc2c1=O
InChIInChI=1S/C14H15BrN2O4/c1-4-17-7-11(21-14(19)20-5-2)12(18)9-6-10(15)8(3)16-13(9)17/h6-7H,4-5H2,1-3H3
InChIKeyYEWXHLUHXVWNMZ-UHFFFAOYSA-N
XLogP3.02
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 69164316
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate
CID 70471245
ethyl (1-ethyl-6,8-difluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl) carbonate
CID 70471151
ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11223923
(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 70563744
ethyl 7-ethenyl-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 15636889
(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
CID 70484352
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
(3-bromophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 1314297

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate?
The IUPAC name of (6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate (CID 68799266) is (6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate.
What is the SMILES notation for (6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate?
The canonical SMILES for (6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate is CCOC(=O)Oc1cn(CC)c2nc(C)c(Br)cc2c1=O.
What is the InChIKey of (6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate?
The InChIKey is YEWXHLUHXVWNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-4-17-7-11(21-14(19)20-5-2)12(18)9-6-10(15)8(3)16-13(9)17/h6-7H,4-5H2,1-3H3.
What are the key properties of (6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate?
(6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate has a molecular weight of 355.19 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) ethyl carbonate is sourced from PubChem (CID 68799266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).