6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C22H20N2O4S — CID 26144665

IUPAC6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCn1c2c(cc(-c3ccccc3)c1=O)CN(C(=O)c1scc3c1OCCO3)CC2
InChIInChI=1S/C22H20N2O4S/c1-23-17-7-8-24(22(26)20-19-18(13-29-20)27-9-10-28-19)12-15(17)11-16(21(23)25)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3
InChIKeyLSINITMKTJBSNU-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.08
Rot. Bonds2

About 6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26144665) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26144665
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCn1c2c(cc(-c3ccccc3)c1=O)CN(C(=O)c1scc3c1OCCO3)CC2
InChIInChI=1S/C22H20N2O4S/c1-23-17-7-8-24(22(26)20-19-18(13-29-20)27-9-10-28-19)12-15(17)11-16(21(23)25)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3
InChIKeyLSINITMKTJBSNU-UHFFFAOYSA-N
XLogP3.08
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26144665) is 6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is Cn1c2c(cc(-c3ccccc3)c1=O)CN(C(=O)c1scc3c1OCCO3)CC2.
What is the InChIKey of 6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is LSINITMKTJBSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-23-17-7-8-24(22(26)20-19-18(13-29-20)27-9-10-28-19)12-15(17)11-16(21(23)25)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 408.48 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26144665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).