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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Related Compounds

2-[2-(1,3-dioxan-2-yl)ethyl]-1H-isoquinoline
CID 70405025
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
2-(oxan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62875186
2-(oxolan-2-ylmethyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163482
2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 113339957
2-(4,4,4-trifluorobutyl)-1H-isoquinoline
CID 70405609
1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
CID 79499139
1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one
CID 117006680
1-(oxolan-2-ylmethyl)-2,3-dihydroindol-7-amine
CID 114456219
2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole
CID 162021021
1-(oxan-2-ylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902946
N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
CID 95612335

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).