9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C18H17NO4 — CID 2984139

IUPAC9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCOc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C18H17NO4/c1-21-12-4-2-11(3-5-12)13-9-18(20)19-15-10-17-16(8-14(13)15)22-6-7-23-17/h2-5,8,10,13H,6-7,9H2,1H3,(H,19,20)
InChIKeyMXOIKHJQLJYDIN-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.94
Rot. Bonds2

About 9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 2984139) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID2984139
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCOc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C18H17NO4/c1-21-12-4-2-11(3-5-12)13-9-18(20)19-15-10-17-16(8-14(13)15)22-6-7-23-17/h2-5,8,10,13H,6-7,9H2,1H3,(H,19,20)
InChIKeyMXOIKHJQLJYDIN-UHFFFAOYSA-N
XLogP2.94
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 2984139) is 9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is COc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is MXOIKHJQLJYDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-21-12-4-2-11(3-5-12)13-9-18(20)19-15-10-17-16(8-14(13)15)22-6-7-23-17/h2-5,8,10,13H,6-7,9H2,1H3,(H,19,20).
What are the key properties of 9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 311.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 2984139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).