2-(oxolan-2-ylmethyl)-1H-isoquinoline

C14H17NO — CID 70984643

IUPAC2-(oxolan-2-ylmethyl)-1H-isoquinoline
SMILESC1=CN(CC2CCCO2)Cc2ccccc21
InChIInChI=1S/C14H17NO/c1-2-5-13-10-15(8-7-12(13)4-1)11-14-6-3-9-16-14/h1-2,4-5,7-8,14H,3,6,9-11H2
InChIKeyRJQZNDKJIUHLMN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.65
Rot. Bonds2

About 2-(oxolan-2-ylmethyl)-1H-isoquinoline

2-(oxolan-2-ylmethyl)-1H-isoquinoline (PubChem CID 70984643) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-1H-isoquinoline.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-1H-isoquinoline
PubChem CID70984643
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(oxolan-2-ylmethyl)-1H-isoquinoline
SMILESC1=CN(CC2CCCO2)Cc2ccccc21
InChIInChI=1S/C14H17NO/c1-2-5-13-10-15(8-7-12(13)4-1)11-14-6-3-9-16-14/h1-2,4-5,7-8,14H,3,6,9-11H2
InChIKeyRJQZNDKJIUHLMN-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-1H-isoquinoline?
The IUPAC name of 2-(oxolan-2-ylmethyl)-1H-isoquinoline (CID 70984643) is 2-(oxolan-2-ylmethyl)-1H-isoquinoline.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-1H-isoquinoline?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-1H-isoquinoline is C1=CN(CC2CCCO2)Cc2ccccc21.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-1H-isoquinoline?
The InChIKey is RJQZNDKJIUHLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-5-13-10-15(8-7-12(13)4-1)11-14-6-3-9-16-14/h1-2,4-5,7-8,14H,3,6,9-11H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-1H-isoquinoline?
2-(oxolan-2-ylmethyl)-1H-isoquinoline has a molecular weight of 215.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-1H-isoquinoline is sourced from PubChem (CID 70984643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).