7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one

C16H13NO4 — CID 53338547

IUPAC7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCc1c(-c2ccco2)[nH]c2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C16H13NO4/c1-9-15(12-3-2-4-19-12)17-11-8-14-13(20-5-6-21-14)7-10(11)16(9)18/h2-4,7-8H,5-6H2,1H3,(H,17,18)
InChIKeyYPCUZGLNCSQBLU-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.87
Rot. Bonds1

About 7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one

7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 53338547) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID53338547
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCc1c(-c2ccco2)[nH]c2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C16H13NO4/c1-9-15(12-3-2-4-19-12)17-11-8-14-13(20-5-6-21-14)7-10(11)16(9)18/h2-4,7-8H,5-6H2,1H3,(H,17,18)
InChIKeyYPCUZGLNCSQBLU-UHFFFAOYSA-N
XLogP2.87
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one (CID 53338547) is 7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one is Cc1c(-c2ccco2)[nH]c2cc3c(cc2c1=O)OCCO3.
What is the InChIKey of 7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is YPCUZGLNCSQBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-9-15(12-3-2-4-19-12)17-11-8-14-13(20-5-6-21-14)7-10(11)16(9)18/h2-4,7-8H,5-6H2,1H3,(H,17,18).
What are the key properties of 7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one?
7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one has a molecular weight of 283.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 53338547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).