6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline

C18H22N2O2 — CID 112511820

IUPAC6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccn1)NC(C)(C)C2
InChIInChI=1S/C18H22N2O2/c1-18(2)11-12-9-15(21-3)16(22-4)10-13(12)17(20-18)14-7-5-6-8-19-14/h5-10,17,20H,11H2,1-4H3
InChIKeyWREHDUUQQKSXQC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.11
Rot. Bonds3

About 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline

6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline (PubChem CID 112511820) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline
PubChem CID112511820
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccn1)NC(C)(C)C2
InChIInChI=1S/C18H22N2O2/c1-18(2)11-12-9-15(21-3)16(22-4)10-13(12)17(20-18)14-7-5-6-8-19-14/h5-10,17,20H,11H2,1-4H3
InChIKeyWREHDUUQQKSXQC-UHFFFAOYSA-N
XLogP3.11
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 3957124
1-ethyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 82131364
11,12-dimethoxy-6-pyridin-2-yl-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline
CID 110223009
6,7-dimethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 5138139
2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 3274019
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 745498
[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-2-ylmethanone
CID 8016137
5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 76581972
(1R)-1-(2-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 743951
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 123462493
(1S,3S)-1-(4-fluorophenyl)-6,7-dimethoxy-3-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 92562399
6,7-dimethoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3933411

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline (CID 112511820) is 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)C(c1ccccn1)NC(C)(C)C2.
What is the InChIKey of 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline?
The InChIKey is WREHDUUQQKSXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2)11-12-9-15(21-3)16(22-4)10-13(12)17(20-18)14-7-5-6-8-19-14/h5-10,17,20H,11H2,1-4H3.
What are the key properties of 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline has a molecular weight of 298.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112511820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).