3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one

C22H24N2O3 — CID 43817529

IUPAC3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cc3cc(C)c(C)cc3[nH]c1=O)NCC2
InChIInChI=1S/C22H24N2O3/c1-12-7-15-9-17(22(25)24-18(15)8-13(12)2)21-16-11-20(27-4)19(26-3)10-14(16)5-6-23-21/h7-11,21,23H,5-6H2,1-4H3,(H,24,25)
InChIKeyULUQXLSDBGMLMX-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.40
Rot. Bonds3

About 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one

3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 43817529) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one
PubChem CID43817529
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cc3cc(C)c(C)cc3[nH]c1=O)NCC2
InChIInChI=1S/C22H24N2O3/c1-12-7-15-9-17(22(25)24-18(15)8-13(12)2)21-16-11-20(27-4)19(26-3)10-14(16)5-6-23-21/h7-11,21,23H,5-6H2,1-4H3,(H,24,25)
InChIKeyULUQXLSDBGMLMX-UHFFFAOYSA-N
XLogP3.40
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one
CID 51687943
3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one
CID 51687962
6,7-dimethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3885623
7-ethoxy-6-methoxy-1-(2,4,5-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 5135970
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 5131004
3-(6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-1H-quinolin-2-one
CID 3227395
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
6,7-dimethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 5138139
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 745498
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-4-nitrophenol
CID 3091754
1-(4-iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3998225

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one (CID 43817529) is 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1cc3cc(C)c(C)cc3[nH]c1=O)NCC2.
What is the InChIKey of 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is ULUQXLSDBGMLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-12-7-15-9-17(22(25)24-18(15)8-13(12)2)21-16-11-20(27-4)19(26-3)10-14(16)5-6-23-21/h7-11,21,23H,5-6H2,1-4H3,(H,24,25).
What are the key properties of 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one?
3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 43817529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).