1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol

C14H17NO2 — CID 79197515

IUPAC1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(C)C(O)c1cncc2ccccc12
InChIInChI=1S/C14H17NO2/c1-14(2,17-3)13(16)12-9-15-8-10-6-4-5-7-11(10)12/h4-9,13,16H,1-3H3
InChIKeyOZIHAFBEPCTQLS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.69
Rot. Bonds3

About 1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol

1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol (PubChem CID 79197515) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol
PubChem CID79197515
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(C)C(O)c1cncc2ccccc12
InChIInChI=1S/C14H17NO2/c1-14(2,17-3)13(16)12-9-15-8-10-6-4-5-7-11(10)12/h4-9,13,16H,1-3H3
InChIKeyOZIHAFBEPCTQLS-UHFFFAOYSA-N
XLogP2.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol?
The IUPAC name of 1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol (CID 79197515) is 1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol is COC(C)(C)C(O)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol?
The InChIKey is OZIHAFBEPCTQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,17-3)13(16)12-9-15-8-10-6-4-5-7-11(10)12/h4-9,13,16H,1-3H3.
What are the key properties of 1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol?
1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 79197515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).