(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone

C21H25NO3 — CID 110635807

IUPAC(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone
SMILESCOc1cc2c(cc1OC)C(C)(C)CN(C(=O)c1ccccc1C)C2
InChIInChI=1S/C21H25NO3/c1-14-8-6-7-9-16(14)20(23)22-12-15-10-18(24-4)19(25-5)11-17(15)21(2,3)13-22/h6-11H,12-13H2,1-5H3
InChIKeyIVLLZQSJDVFGKK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.95
Rot. Bonds3

About (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone

(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone (PubChem CID 110635807) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone
PubChem CID110635807
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone
SMILESCOc1cc2c(cc1OC)C(C)(C)CN(C(=O)c1ccccc1C)C2
InChIInChI=1S/C21H25NO3/c1-14-8-6-7-9-16(14)20(23)22-12-15-10-18(24-4)19(25-5)11-17(15)21(2,3)13-22/h6-11H,12-13H2,1-5H3
InChIKeyIVLLZQSJDVFGKK-UHFFFAOYSA-N
XLogP3.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone
CID 110635806
1-(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-2-methylpropan-1-one
CID 110635796
3-(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)benzonitrile
CID 110635813
cyclobutyl-(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone
CID 110635847
(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone
CID 110635765
N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
CID 110670006
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone
CID 108546198
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 162540366
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-5-methylsulfonylphenyl)methanone
CID 27515137

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone?
The IUPAC name of (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone (CID 110635807) is (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone is COc1cc2c(cc1OC)C(C)(C)CN(C(=O)c1ccccc1C)C2.
What is the InChIKey of (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone?
The InChIKey is IVLLZQSJDVFGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14-8-6-7-9-16(14)20(23)22-12-15-10-18(24-4)19(25-5)11-17(15)21(2,3)13-22/h6-11H,12-13H2,1-5H3.
What are the key properties of (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone?
(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone has a molecular weight of 339.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 110635807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).