2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol

C21H23N3O4 — CID 14625302

IUPAC2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(c1cc(N)c3cc(OC)c(OC)cc3n1)C2
InChIInChI=1S/C21H23N3O4/c1-26-18-7-13-11-24(5-4-12(13)6-17(18)25)21-9-15(22)14-8-19(27-2)20(28-3)10-16(14)23-21/h6-10,25H,4-5,11H2,1-3H3,(H2,22,23)
InChIKeyWUKVBSCXYHWYFD-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol

2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 14625302) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID14625302
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(c1cc(N)c3cc(OC)c(OC)cc3n1)C2
InChIInChI=1S/C21H23N3O4/c1-26-18-7-13-11-24(5-4-12(13)6-17(18)25)21-9-15(22)14-8-19(27-2)20(28-3)10-16(14)23-21/h6-10,25H,4-5,11H2,1-3H3,(H2,22,23)
InChIKeyWUKVBSCXYHWYFD-UHFFFAOYSA-N
XLogP3.11
TPSA90.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol with MolForge

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Related Compounds

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-iodo-6,7-dimethoxyquinolin-4-amine
CID 18765188
1-[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
CID 14068999
6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride
CID 90673657
2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 69471549
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80651956
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 67687341
6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 21416702
6,7-dimethoxy-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112884051
(2-hydroxy-2-methylpropyl) 4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazine-1-carboxylate;hydrate;hydrochloride
CID 70405343
[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(5-(125I)iodo-3-pyridinyl)methanone
CID 10697218
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine
CID 103436503
N-tert-butyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-2-amine
CID 112924589

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol (CID 14625302) is 2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol is COc1cc2c(cc1O)CCN(c1cc(N)c3cc(OC)c(OC)cc3n1)C2.
What is the InChIKey of 2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is WUKVBSCXYHWYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-18-7-13-11-24(5-4-12(13)6-17(18)25)21-9-15(22)14-8-19(27-2)20(28-3)10-16(14)23-21/h6-10,25H,4-5,11H2,1-3H3,(H2,22,23).
What are the key properties of 2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 381.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 14625302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).