9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C17H13NO4 — CID 134910771

IUPAC9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1c2c(cc3[nH]c(=O)cc(-c4ccccc4)c13)OCO2
InChIInChI=1S/C17H13NO4/c1-20-17-15-11(10-5-3-2-4-6-10)7-14(19)18-12(15)8-13-16(17)22-9-21-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyXBPGSULBDCUADT-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.93
Rot. Bonds2

About 9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 134910771) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID134910771
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1c2c(cc3[nH]c(=O)cc(-c4ccccc4)c13)OCO2
InChIInChI=1S/C17H13NO4/c1-20-17-15-11(10-5-3-2-4-6-10)7-14(19)18-12(15)8-13-16(17)22-9-21-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyXBPGSULBDCUADT-UHFFFAOYSA-N
XLogP2.93
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 134910771) is 9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is COc1c2c(cc3[nH]c(=O)cc(-c4ccccc4)c13)OCO2.
What is the InChIKey of 9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is XBPGSULBDCUADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-20-17-15-11(10-5-3-2-4-6-10)7-14(19)18-12(15)8-13-16(17)22-9-21-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 295.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 134910771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).