4,8-di(propan-2-yl)isoquinoline

C15H19N — CID 59590591

IUPAC4,8-di(propan-2-yl)isoquinoline
SMILESCC(C)c1cncc2c(C(C)C)cccc12
InChIInChI=1S/C15H19N/c1-10(2)12-6-5-7-13-14(11(3)4)8-16-9-15(12)13/h5-11H,1-4H3
InChIKeyUDFIQEZUSPXCIE-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.48
Rot. Bonds2

About 4,8-di(propan-2-yl)isoquinoline

4,8-di(propan-2-yl)isoquinoline (PubChem CID 59590591) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4,8-di(propan-2-yl)isoquinoline.

Molecular Properties

Compound Name4,8-di(propan-2-yl)isoquinoline
PubChem CID59590591
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4,8-di(propan-2-yl)isoquinoline
SMILESCC(C)c1cncc2c(C(C)C)cccc12
InChIInChI=1S/C15H19N/c1-10(2)12-6-5-7-13-14(11(3)4)8-16-9-15(12)13/h5-11H,1-4H3
InChIKeyUDFIQEZUSPXCIE-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,8-di(propan-2-yl)isoquinoline?
The IUPAC name of 4,8-di(propan-2-yl)isoquinoline (CID 59590591) is 4,8-di(propan-2-yl)isoquinoline.
What is the SMILES notation for 4,8-di(propan-2-yl)isoquinoline?
The canonical SMILES for 4,8-di(propan-2-yl)isoquinoline is CC(C)c1cncc2c(C(C)C)cccc12.
What is the InChIKey of 4,8-di(propan-2-yl)isoquinoline?
The InChIKey is UDFIQEZUSPXCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-10(2)12-6-5-7-13-14(11(3)4)8-16-9-15(12)13/h5-11H,1-4H3.
What are the key properties of 4,8-di(propan-2-yl)isoquinoline?
4,8-di(propan-2-yl)isoquinoline has a molecular weight of 213.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-di(propan-2-yl)isoquinoline is sourced from PubChem (CID 59590591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).