2-ethyl-1H-isoquinoline-1,3-diol

C11H13NO2 — CID 163432734

IUPAC2-ethyl-1H-isoquinoline-1,3-diol
SMILESCCN1C(O)=Cc2ccccc2C1O
InChIInChI=1S/C11H13NO2/c1-2-12-10(13)7-8-5-3-4-6-9(8)11(12)14/h3-7,11,13-14H,2H2,1H3
InChIKeyARWVAIINKVLSQO-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.87
Rot. Bonds1

About 2-ethyl-1H-isoquinoline-1,3-diol

2-ethyl-1H-isoquinoline-1,3-diol (PubChem CID 163432734) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-ethyl-1H-isoquinoline-1,3-diol.

Molecular Properties

Compound Name2-ethyl-1H-isoquinoline-1,3-diol
PubChem CID163432734
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-ethyl-1H-isoquinoline-1,3-diol
SMILESCCN1C(O)=Cc2ccccc2C1O
InChIInChI=1S/C11H13NO2/c1-2-12-10(13)7-8-5-3-4-6-9(8)11(12)14/h3-7,11,13-14H,2H2,1H3
InChIKeyARWVAIINKVLSQO-UHFFFAOYSA-N
XLogP1.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 67954177
2-[(4-ethylphenyl)methyl]-3-hydroxy-3H-isoindol-1-one
CID 143155464
1-ethyl-2-methyl-1H-indene
CID 12910549
(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one
CID 102270408
1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid
CID 141151611
3-hydroxy-2-(2-hydroxy-2-methylpropyl)-3H-isoindol-1-one
CID 143664494
1,2-diethyl-1H-indene
CID 54262428
bis(2-methyl-1H-inden-1-yl)silane
CID 154500398
1-fluoro-1H-inden-2-ol
CID 174381706
2-(2-methyl-1H-inden-1-yl)acetic acid
CID 150876820
1-ethyl-6-(2-hydroxyphenyl)piperidine-2,5-dione
CID 105492455

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-isoquinoline-1,3-diol?
The IUPAC name of 2-ethyl-1H-isoquinoline-1,3-diol (CID 163432734) is 2-ethyl-1H-isoquinoline-1,3-diol.
What is the SMILES notation for 2-ethyl-1H-isoquinoline-1,3-diol?
The canonical SMILES for 2-ethyl-1H-isoquinoline-1,3-diol is CCN1C(O)=Cc2ccccc2C1O.
What is the InChIKey of 2-ethyl-1H-isoquinoline-1,3-diol?
The InChIKey is ARWVAIINKVLSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-12-10(13)7-8-5-3-4-6-9(8)11(12)14/h3-7,11,13-14H,2H2,1H3.
What are the key properties of 2-ethyl-1H-isoquinoline-1,3-diol?
2-ethyl-1H-isoquinoline-1,3-diol has a molecular weight of 191.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-isoquinoline-1,3-diol is sourced from PubChem (CID 163432734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).