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

C17H12N2O3S — CID 25234035

IUPACethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1c(=O)c2cccnc2n2c1sc1ccccc12
InChIInChI=1S/C17H12N2O3S/c1-2-22-17(21)13-14(20)10-6-5-9-18-15(10)19-11-7-3-4-8-12(11)23-16(13)19/h3-9H,2H2,1H3
InChIKeyUTOHGXZJDFBHHT-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.24
Rot. Bonds2

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

ethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate (PubChem CID 25234035) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is ethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
PubChem CID25234035
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC Nameethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1c(=O)c2cccnc2n2c1sc1ccccc12
InChIInChI=1S/C17H12N2O3S/c1-2-22-17(21)13-14(20)10-6-5-9-18-15(10)19-11-7-3-4-8-12(11)23-16(13)19/h3-9H,2H2,1H3
InChIKeyUTOHGXZJDFBHHT-UHFFFAOYSA-N
XLogP3.24
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The IUPAC name of ethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate (CID 25234035) is ethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate is CCOC(=O)c1c(=O)c2cccnc2n2c1sc1ccccc12.
What is the InChIKey of ethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The InChIKey is UTOHGXZJDFBHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c1-2-22-17(21)13-14(20)10-6-5-9-18-15(10)19-11-7-3-4-8-12(11)23-16(13)19/h3-9H,2H2,1H3.
What are the key properties of ethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
ethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate is sourced from PubChem (CID 25234035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).