3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

C18H17N3O4S — CID 22515302

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCN1C(C(=O)N2CCCc3ccccc32)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C18H17N3O4S/c1-20-16(12-14(19-26(20,23)24)17-9-5-11-25-17)18(22)21-10-4-7-13-6-2-3-8-15(13)21/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3
InChIKeyJDAUQTKRZOZFHU-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.12
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (PubChem CID 22515302) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
PubChem CID22515302
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
SMILESCN1C(C(=O)N2CCCc3ccccc32)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C18H17N3O4S/c1-20-16(12-14(19-26(20,23)24)17-9-5-11-25-17)18(22)21-10-4-7-13-6-2-3-8-15(13)21/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3
InChIKeyJDAUQTKRZOZFHU-UHFFFAOYSA-N
XLogP2.12
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone (CID 22515302) is 3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is CN1C(C(=O)N2CCCc3ccccc32)=CC(c2ccco2)=NS1(=O)=O.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
The InChIKey is JDAUQTKRZOZFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-20-16(12-14(19-26(20,23)24)17-9-5-11-25-17)18(22)21-10-4-7-13-6-2-3-8-15(13)21/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone has a molecular weight of 371.42 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone is sourced from PubChem (CID 22515302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).