(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C20H23NO4 — CID 110314237

IUPAC(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCc3cc(OC)ccc3C2C)c1
InChIInChI=1S/C20H23NO4/c1-13-19-6-5-16(23-2)9-14(19)7-8-21(13)20(22)15-10-17(24-3)12-18(11-15)25-4/h5-6,9-13H,7-8H2,1-4H3
InChIKeyWBYFHBCFGDBAOZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.47
Rot. Bonds4

About (3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 110314237) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID110314237
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCc3cc(OC)ccc3C2C)c1
InChIInChI=1S/C20H23NO4/c1-13-19-6-5-16(23-2)9-14(19)7-8-21(13)20(22)15-10-17(24-3)12-18(11-15)25-4/h5-6,9-13H,7-8H2,1-4H3
InChIKeyWBYFHBCFGDBAOZ-UHFFFAOYSA-N
XLogP3.47
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 110314237) is (3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is COc1cc(OC)cc(C(=O)N2CCc3cc(OC)ccc3C2C)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is WBYFHBCFGDBAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-19-6-5-16(23-2)9-14(19)7-8-21(13)20(22)15-10-17(24-3)12-18(11-15)25-4/h5-6,9-13H,7-8H2,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 110314237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).