1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate

C14H15NO3 — CID 174783628

IUPAC1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate
SMILESCCC(Cc1ccc2cncc(O)c2c1)OC=O
InChIInChI=1S/C14H15NO3/c1-2-12(18-9-16)5-10-3-4-11-7-15-8-14(17)13(11)6-10/h3-4,6-9,12,17H,2,5H2,1H3
InChIKeyJPOLXLWWCKTEAU-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.43
Rot. Bonds5

About 1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate

1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate (PubChem CID 174783628) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate.

Molecular Properties

Compound Name1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate
PubChem CID174783628
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate
SMILESCCC(Cc1ccc2cncc(O)c2c1)OC=O
InChIInChI=1S/C14H15NO3/c1-2-12(18-9-16)5-10-3-4-11-7-15-8-14(17)13(11)6-10/h3-4,6-9,12,17H,2,5H2,1H3
InChIKeyJPOLXLWWCKTEAU-UHFFFAOYSA-N
XLogP2.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-pentan-3-yloxyisoquinolin-4-ol
CID 150996288
2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate
CID 58495795
6-(4-aminophenoxy)isoquinolin-4-ol
CID 174742458
1-phenylpentan-3-yl formate
CID 58248129
7-ethyl-2-hydroxynaphthalene-1-carbaldehyde
CID 89338488
methyl 3-(4-bromoisoquinolin-6-yl)-2,2-dimethylpropanoate
CID 122582153
3-(4-ethylisoquinolin-7-yl)-2-methylpropanoic acid
CID 117360196
hydron;isoquinolin-4-ol
CID 174960329
methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate
CID 170047349
(4-bromoisoquinolin-6-yl)methyl-[3-(dimethylamino)propyl]carbamic acid
CID 122457667
1-(6-chloropyrazin-2-yl)ethyl formate
CID 174546830
formic acid;7-phenoxyisoquinolin-4-ol
CID 175369132

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate?
The IUPAC name of 1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate (CID 174783628) is 1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate.
What is the SMILES notation for 1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate?
The canonical SMILES for 1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate is CCC(Cc1ccc2cncc(O)c2c1)OC=O.
What is the InChIKey of 1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate?
The InChIKey is JPOLXLWWCKTEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-12(18-9-16)5-10-3-4-11-7-15-8-14(17)13(11)6-10/h3-4,6-9,12,17H,2,5H2,1H3.
What are the key properties of 1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate?
1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate has a molecular weight of 245.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyisoquinolin-6-yl)butan-2-yl formate is sourced from PubChem (CID 174783628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).