(1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline

C24H26N2O4 — CID 46956305

IUPAC(1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@H](c1cccc(OC)c1OC)N[C@H](c1cccnc1)C2
InChIInChI=1S/C24H26N2O4/c1-27-20-9-5-8-17(24(20)30-4)23-18-13-22(29-3)21(28-2)12-16(18)11-19(26-23)15-7-6-10-25-14-15/h5-10,12-14,19,23,26H,11H2,1-4H3/t19-,23-/m0/s1
InChIKeyQSRCYDPUSRCYGA-CVDCTZTESA-N
MW406.48 g/mol
LogP4.09
Rot. Bonds6

About (1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline

(1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 46956305) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID46956305
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name(1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@H](c1cccc(OC)c1OC)N[C@H](c1cccnc1)C2
InChIInChI=1S/C24H26N2O4/c1-27-20-9-5-8-17(24(20)30-4)23-18-13-22(29-3)21(28-2)12-16(18)11-19(26-23)15-7-6-10-25-14-15/h5-10,12-14,19,23,26H,11H2,1-4H3/t19-,23-/m0/s1
InChIKeyQSRCYDPUSRCYGA-CVDCTZTESA-N
XLogP4.09
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

(1S,3S)-1-(4-fluorophenyl)-6,7-dimethoxy-3-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 92562399
5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one
CID 157480286
2-[(1R,3S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-phenyl-1,3-thiazole
CID 57498442
(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101228516
5-(2,3-dimethoxyphenyl)pyrazolidin-3-one
CID 4054499
(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone
CID 86286576
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 123462493
4-[(1R,3R)-6,7-dimethoxy-3-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-2,6-dimethylphenol
CID 46956298
(9R)-6,7-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879417
3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
CID 171197120
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline (CID 46956305) is (1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)[C@H](c1cccc(OC)c1OC)N[C@H](c1cccnc1)C2.
What is the InChIKey of (1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QSRCYDPUSRCYGA-CVDCTZTESA-N. The full InChI is InChI=1S/C24H26N2O4/c1-27-20-9-5-8-17(24(20)30-4)23-18-13-22(29-3)21(28-2)12-16(18)11-19(26-23)15-7-6-10-25-14-15/h5-10,12-14,19,23,26H,11H2,1-4H3/t19-,23-/m0/s1.
What are the key properties of (1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline?
(1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 406.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 46956305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).