6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline

C14H15NO3 — CID 58755618

IUPAC6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline
SMILESCC(C)Oc1nc2c(c3ccccc13)OCOC2
InChIInChI=1S/C14H15NO3/c1-9(2)18-14-11-6-4-3-5-10(11)13-12(15-14)7-16-8-17-13/h3-6,9H,7-8H2,1-2H3
InChIKeyXZCSOUQWRJGFIR-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.89
Rot. Bonds2

About 6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline

6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline (PubChem CID 58755618) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline.

Molecular Properties

Compound Name6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline
PubChem CID58755618
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline
SMILESCC(C)Oc1nc2c(c3ccccc13)OCOC2
InChIInChI=1S/C14H15NO3/c1-9(2)18-14-11-6-4-3-5-10(11)13-12(15-14)7-16-8-17-13/h3-6,9H,7-8H2,1-2H3
InChIKeyXZCSOUQWRJGFIR-UHFFFAOYSA-N
XLogP2.89
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline?
The IUPAC name of 6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline (CID 58755618) is 6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline.
What is the SMILES notation for 6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline?
The canonical SMILES for 6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline is CC(C)Oc1nc2c(c3ccccc13)OCOC2.
What is the InChIKey of 6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline?
The InChIKey is XZCSOUQWRJGFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(2)18-14-11-6-4-3-5-10(11)13-12(15-14)7-16-8-17-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline?
6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline has a molecular weight of 245.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-4H-[1,3]dioxino[5,4-c]isoquinoline is sourced from PubChem (CID 58755618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).