ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate

C19H16N2O3S — CID 143408060

IUPACethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1c(=O)c2ccc(C)nc2n2c1sc1ccc(C)cc12
InChIInChI=1S/C19H16N2O3S/c1-4-24-19(23)15-16(22)12-7-6-11(3)20-17(12)21-13-9-10(2)5-8-14(13)25-18(15)21/h5-9H,4H2,1-3H3
InChIKeyDYKOUJBFCKOEGV-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.86
Rot. Bonds2

About ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate

ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate (PubChem CID 143408060) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
PubChem CID143408060
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Nameethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1c(=O)c2ccc(C)nc2n2c1sc1ccc(C)cc12
InChIInChI=1S/C19H16N2O3S/c1-4-24-19(23)15-16(22)12-7-6-11(3)20-17(12)21-13-9-10(2)5-8-14(13)25-18(15)21/h5-9H,4H2,1-3H3
InChIKeyDYKOUJBFCKOEGV-UHFFFAOYSA-N
XLogP3.86
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 10-chloro-3-fluoro-5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
CID 59516622
ethyl 7-oxo-3,10-dithia-1-azatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,8,11,13,15-hexaene-8-carboxylate
CID 24798179
10-chloro-2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 59516607
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
ethane;ethyl 3-fluoro-5-oxo-2-(2-pyrazin-2-ylethylsulfanyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
CID 143205243
ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940935
ethyl 5-chloro-9-oxo-2,4,12-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3(8),4,6,10,13,15,17,19-nonaene-10-carboxylate
CID 25234192
ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 143904109
ethyl 9-thia-2,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene-11-carboxylate
CID 47079796
ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 91367850
ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate
CID 142738035

Frequently Asked Questions

What is the IUPAC name of ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The IUPAC name of ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate (CID 143408060) is ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate is CCOC(=O)c1c(=O)c2ccc(C)nc2n2c1sc1ccc(C)cc12.
What is the InChIKey of ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The InChIKey is DYKOUJBFCKOEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-4-24-19(23)15-16(22)12-7-6-11(3)20-17(12)21-13-9-10(2)5-8-14(13)25-18(15)21/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate has a molecular weight of 352.42 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,10-dimethyl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate is sourced from PubChem (CID 143408060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).