9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C18H16ClNO4 — CID 2978934

IUPAC9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCOc1ccc(Cl)cc1C1CC(=O)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C18H16ClNO4/c1-22-15-3-2-10(19)6-13(15)11-8-18(21)20-14-9-17-16(7-12(11)14)23-4-5-24-17/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,20,21)
InChIKeyUNQMIYDPUMVTTO-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.59
Rot. Bonds2

About 9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 2978934) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is 9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID2978934
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCOc1ccc(Cl)cc1C1CC(=O)Nc2cc3c(cc21)OCCO3
InChIInChI=1S/C18H16ClNO4/c1-22-15-3-2-10(19)6-13(15)11-8-18(21)20-14-9-17-16(7-12(11)14)23-4-5-24-17/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,20,21)
InChIKeyUNQMIYDPUMVTTO-UHFFFAOYSA-N
XLogP3.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 2978934) is 9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is COc1ccc(Cl)cc1C1CC(=O)Nc2cc3c(cc21)OCCO3.
What is the InChIKey of 9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is UNQMIYDPUMVTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-22-15-3-2-10(19)6-13(15)11-8-18(21)20-14-9-17-16(7-12(11)14)23-4-5-24-17/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,20,21).
What are the key properties of 9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 345.78 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 2978934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).