4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

C15H19NO4 — CID 124855505

IUPAC4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCOc1c2c(c([C@]3(C)CO3)c3c1OCO3)CCN(C)C2
InChIInChI=1S/C15H19NO4/c1-15(7-20-15)11-9-4-5-16(2)6-10(9)12(17-3)14-13(11)18-8-19-14/h4-8H2,1-3H3/t15-/m0/s1
InChIKeyZDDQSDUMXFBHEN-HNNXBMFYSA-N
MW277.32 g/mol
LogP1.66
Rot. Bonds2

About 4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 124855505) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID124855505
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
SMILESCOc1c2c(c([C@]3(C)CO3)c3c1OCO3)CCN(C)C2
InChIInChI=1S/C15H19NO4/c1-15(7-20-15)11-9-4-5-16(2)6-10(9)12(17-3)14-13(11)18-8-19-14/h4-8H2,1-3H3/t15-/m0/s1
InChIKeyZDDQSDUMXFBHEN-HNNXBMFYSA-N
XLogP1.66
TPSA43.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of 4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline (CID 124855505) is 4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for 4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for 4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline is COc1c2c(c([C@]3(C)CO3)c3c1OCO3)CCN(C)C2.
What is the InChIKey of 4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is ZDDQSDUMXFBHEN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(7-20-15)11-9-4-5-16(2)6-10(9)12(17-3)14-13(11)18-8-19-14/h4-8H2,1-3H3/t15-/m0/s1.
What are the key properties of 4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 277.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-9-[(2R)-2-methyloxiran-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 124855505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).