1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone

C22H22N2O4 — CID 38446749

IUPAC1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)Cc1coc(-c3ccccc3)n1)CC2
InChIInChI=1S/C22H22N2O4/c1-26-19-10-16-8-9-24(13-17(16)11-20(19)27-2)21(25)12-18-14-28-22(23-18)15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12-13H2,1-2H3
InChIKeyVEEHVRSVNRHLCO-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.49
Rot. Bonds5

About 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone (PubChem CID 38446749) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
PubChem CID38446749
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)Cc1coc(-c3ccccc3)n1)CC2
InChIInChI=1S/C22H22N2O4/c1-26-19-10-16-8-9-24(13-17(16)11-20(19)27-2)21(25)12-18-14-28-22(23-18)15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12-13H2,1-2H3
InChIKeyVEEHVRSVNRHLCO-UHFFFAOYSA-N
XLogP3.49
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
CID 112767911
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 42887096
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-N-phenylpropanamide
CID 108951390
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 18152603
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-naphthalen-2-yloxyethanone
CID 24682063
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 18206374
3-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 11625057
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentane-1,4-dione
CID 60639059
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylnaphthalen-2-yl)methanone
CID 175966427
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129379310

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone (CID 38446749) is 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone is COc1cc2c(cc1OC)CN(C(=O)Cc1coc(-c3ccccc3)n1)CC2.
What is the InChIKey of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is VEEHVRSVNRHLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-19-10-16-8-9-24(13-17(16)11-20(19)27-2)21(25)12-18-14-28-22(23-18)15-6-4-3-5-7-15/h3-7,10-11,14H,8-9,12-13H2,1-2H3.
What are the key properties of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 378.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 38446749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).