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

C20H23NO3 — CID 110635806

IUPAC(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone
SMILESCOc1cc2c(cc1OC)C(C)(C)CN(C(=O)c1ccccc1)C2
InChIInChI=1S/C20H23NO3/c1-20(2)13-21(19(22)14-8-6-5-7-9-14)12-15-10-17(23-3)18(24-4)11-16(15)20/h5-11H,12-13H2,1-4H3
InChIKeyNVOIUNPPVBOQCP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.64
Rot. Bonds3

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

(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone (PubChem CID 110635806) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone
PubChem CID110635806
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone
SMILESCOc1cc2c(cc1OC)C(C)(C)CN(C(=O)c1ccccc1)C2
InChIInChI=1S/C20H23NO3/c1-20(2)13-21(19(22)14-8-6-5-7-9-14)12-15-10-17(23-3)18(24-4)11-16(15)20/h5-11H,12-13H2,1-4H3
InChIKeyNVOIUNPPVBOQCP-UHFFFAOYSA-N
XLogP3.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)benzonitrile
CID 110635813
(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone
CID 110635807
1-(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-2-methylpropan-1-one
CID 110635796
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
CID 110670006
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
3-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-carbonyl)benzonitrile
CID 110635764
(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,4'-oxane]-2-yl)-(2-methoxyphenyl)methanone
CID 110635765
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 38447933
5,6-dimethoxy-1,3-dihydroisoindole-2-carboxylic acid
CID 67544480
5-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-carbonyl)-1H-pyridin-2-one
CID 110613933
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone?
The IUPAC name of (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone (CID 110635806) is (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone.
What is the SMILES notation for (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone?
The canonical SMILES for (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone is COc1cc2c(cc1OC)C(C)(C)CN(C(=O)c1ccccc1)C2.
What is the InChIKey of (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone?
The InChIKey is NVOIUNPPVBOQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2)13-21(19(22)14-8-6-5-7-9-14)12-15-10-17(23-3)18(24-4)11-16(15)20/h5-11H,12-13H2,1-4H3.
What are the key properties of (6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone?
(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-phenylmethanone has a molecular weight of 325.41 g/mol, XLogP of 3.64, 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)-phenylmethanone is sourced from PubChem (CID 110635806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).