(4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol

C19H21N3O3 — CID 124568787

IUPAC(4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(Cc1ccc3cn[nH]c3c1)C[C@@H]2O
InChIInChI=1S/C19H21N3O3/c1-24-17-5-6-18(25-2)19-14(17)10-22(11-16(19)23)9-12-3-4-13-8-20-21-15(13)7-12/h3-8,16,23H,9-11H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyIDHFDWNFDMQGCX-INIZCTEOSA-N
MW339.40 g/mol
LogP2.63
Rot. Bonds4

About (4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol

(4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 124568787) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID124568787
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(Cc1ccc3cn[nH]c3c1)C[C@@H]2O
InChIInChI=1S/C19H21N3O3/c1-24-17-5-6-18(25-2)19-14(17)10-22(11-16(19)23)9-12-3-4-13-8-20-21-15(13)7-12/h3-8,16,23H,9-11H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyIDHFDWNFDMQGCX-INIZCTEOSA-N
XLogP2.63
TPSA70.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,8-dimethoxy-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 110881932
(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-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 56798625
(4S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 94103734
(4S)-5,8-dimethoxy-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 95573529
(4R)-5,8-dimethoxy-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 95573528
(4R)-2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 51952713
(4S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 94022489
(4S)-2-[(5-chlorothiadiazol-4-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 94016866
(4S)-5,8-dimethoxy-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 51964070
(4S)-2-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 97332146
(4R)-5,8-dimethoxy-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 51964069

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol (CID 124568787) is (4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol is COc1ccc(OC)c2c1CN(Cc1ccc3cn[nH]c3c1)C[C@@H]2O.
What is the InChIKey of (4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is IDHFDWNFDMQGCX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-17-5-6-18(25-2)19-14(17)10-22(11-16(19)23)9-12-3-4-13-8-20-21-15(13)7-12/h3-8,16,23H,9-11H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 339.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(1H-indazol-6-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 124568787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).