(4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol

C18H25N3O4 — CID 98718134

IUPAC(4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN([C@H](C)c1nc(C(C)C)no1)C[C@@H]2O
InChIInChI=1S/C18H25N3O4/c1-10(2)17-19-18(25-20-17)11(3)21-8-12-14(23-4)6-7-15(24-5)16(12)13(22)9-21/h6-7,10-11,13,22H,8-9H2,1-5H3/t11-,13+/m1/s1
InChIKeyLMZDXKMYIWGSOF-YPMHNXCESA-N
MW347.42 g/mol
LogP2.82
Rot. Bonds5

About (4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol

(4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 98718134) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID98718134
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN([C@H](C)c1nc(C(C)C)no1)C[C@@H]2O
InChIInChI=1S/C18H25N3O4/c1-10(2)17-19-18(25-20-17)11(3)21-8-12-14(23-4)6-7-15(24-5)16(12)13(22)9-21/h6-7,10-11,13,22H,8-9H2,1-5H3/t11-,13+/m1/s1
InChIKeyLMZDXKMYIWGSOF-YPMHNXCESA-N
XLogP2.82
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol with MolForge

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Related Compounds

(4S)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 94103741
(4S)-2-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 94103731
(4S)-5,8-dimethoxy-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 94022498
2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentanoic acid
CID 154763079
2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentanoic acid
CID 167775885
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94797739
(4S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 94103734
4-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 120559396
(4S)-5,8-dimethoxy-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 51964070
(4R)-2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 51952713
(4S)-5,8-dimethoxy-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 95573529

Frequently Asked Questions

What is the IUPAC name of (4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol (CID 98718134) is (4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol is COc1ccc(OC)c2c1CN([C@H](C)c1nc(C(C)C)no1)C[C@@H]2O.
What is the InChIKey of (4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is LMZDXKMYIWGSOF-YPMHNXCESA-N. The full InChI is InChI=1S/C18H25N3O4/c1-10(2)17-19-18(25-20-17)11(3)21-8-12-14(23-4)6-7-15(24-5)16(12)13(22)9-21/h6-7,10-11,13,22H,8-9H2,1-5H3/t11-,13+/m1/s1.
What are the key properties of (4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 347.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,8-dimethoxy-2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 98718134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).