1,3-di(propan-2-yloxy)isoquinoline

C15H19NO2 — CID 68980683

IUPAC1,3-di(propan-2-yloxy)isoquinoline
SMILESCC(C)Oc1cc2ccccc2c(OC(C)C)n1
InChIInChI=1S/C15H19NO2/c1-10(2)17-14-9-12-7-5-6-8-13(12)15(16-14)18-11(3)4/h5-11H,1-4H3
InChIKeyCSWPBBVDWCMQCM-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.81
Rot. Bonds4

About 1,3-di(propan-2-yloxy)isoquinoline

1,3-di(propan-2-yloxy)isoquinoline (PubChem CID 68980683) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1,3-di(propan-2-yloxy)isoquinoline.

Molecular Properties

Compound Name1,3-di(propan-2-yloxy)isoquinoline
PubChem CID68980683
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1,3-di(propan-2-yloxy)isoquinoline
SMILESCC(C)Oc1cc2ccccc2c(OC(C)C)n1
InChIInChI=1S/C15H19NO2/c1-10(2)17-14-9-12-7-5-6-8-13(12)15(16-14)18-11(3)4/h5-11H,1-4H3
InChIKeyCSWPBBVDWCMQCM-UHFFFAOYSA-N
XLogP3.81
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yloxy)isoquinoline?
The IUPAC name of 1,3-di(propan-2-yloxy)isoquinoline (CID 68980683) is 1,3-di(propan-2-yloxy)isoquinoline.
What is the SMILES notation for 1,3-di(propan-2-yloxy)isoquinoline?
The canonical SMILES for 1,3-di(propan-2-yloxy)isoquinoline is CC(C)Oc1cc2ccccc2c(OC(C)C)n1.
What is the InChIKey of 1,3-di(propan-2-yloxy)isoquinoline?
The InChIKey is CSWPBBVDWCMQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(2)17-14-9-12-7-5-6-8-13(12)15(16-14)18-11(3)4/h5-11H,1-4H3.
What are the key properties of 1,3-di(propan-2-yloxy)isoquinoline?
1,3-di(propan-2-yloxy)isoquinoline has a molecular weight of 245.32 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yloxy)isoquinoline is sourced from PubChem (CID 68980683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).