(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol

C20H16N2O2 — CID 125479415

IUPAC(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
SMILESO[C@H](c1nccc2ccccc12)[C@H](O)c1nccc2ccccc12
InChIInChI=1S/C20H16N2O2/c23-19(17-15-7-3-1-5-13(15)9-11-21-17)20(24)18-16-8-4-2-6-14(16)10-12-22-18/h1-12,19-20,23-24H/t19-,20-/m1/s1
InChIKeyLPPACGZHIOFSNW-WOJBJXKFSA-N
MW316.36 g/mol
LogP3.55
Rot. Bonds3

About (1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol

(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol (PubChem CID 125479415) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
PubChem CID125479415
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
SMILESO[C@H](c1nccc2ccccc12)[C@H](O)c1nccc2ccccc12
InChIInChI=1S/C20H16N2O2/c23-19(17-15-7-3-1-5-13(15)9-11-21-17)20(24)18-16-8-4-2-6-14(16)10-12-22-18/h1-12,19-20,23-24H/t19-,20-/m1/s1
InChIKeyLPPACGZHIOFSNW-WOJBJXKFSA-N
XLogP3.55
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

isoquinolin-1-ylmethanediol
CID 57261748
1-isoquinolin-1-yl-4-(methylamino)butane-1,2-diol
CID 171890434
1-isoquinolin-1-yl-3-phenylpropan-1-ol
CID 63950464
S-(3,4-dihydroxy-4-isoquinolin-1-ylbutyl) ethanethioate
CID 171876101
(3,5-dimethylphenyl)-isoquinolin-1-ylmethanol
CID 63948839
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
isoquinolin-1-yl-(4-methoxyphenyl)methanol
CID 4211286
(2,3-difluoro-4-methylphenyl)-isoquinolin-1-ylmethanol
CID 107512883
2-isoquinolin-1-yl-3-phenylpropanoic acid
CID 104571632
(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
CID 97167713
1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112642535
(2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol
CID 63976354

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol?
The IUPAC name of (1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol (CID 125479415) is (1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol.
What is the SMILES notation for (1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol?
The canonical SMILES for (1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol is O[C@H](c1nccc2ccccc12)[C@H](O)c1nccc2ccccc12.
What is the InChIKey of (1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol?
The InChIKey is LPPACGZHIOFSNW-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19(17-15-7-3-1-5-13(15)9-11-21-17)20(24)18-16-8-4-2-6-14(16)10-12-22-18/h1-12,19-20,23-24H/t19-,20-/m1/s1.
What are the key properties of (1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol?
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol has a molecular weight of 316.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol is sourced from PubChem (CID 125479415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).