4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole

C25H24N2O3 — CID 71062093

IUPAC4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
SMILESCOc1cc2c(cc1OC)CN(Cc1coc(-c3ccc4ccccc4c3)n1)CC2
InChIInChI=1S/C25H24N2O3/c1-28-23-12-19-9-10-27(14-21(19)13-24(23)29-2)15-22-16-30-25(26-22)20-8-7-17-5-3-4-6-18(17)11-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3
InChIKeyIQVWYCBUDUURHF-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.07
Rot. Bonds5

About 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole

4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole (PubChem CID 71062093) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
PubChem CID71062093
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
SMILESCOc1cc2c(cc1OC)CN(Cc1coc(-c3ccc4ccccc4c3)n1)CC2
InChIInChI=1S/C25H24N2O3/c1-28-23-12-19-9-10-27(14-21(19)13-24(23)29-2)15-22-16-30-25(26-22)20-8-7-17-5-3-4-6-18(17)11-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3
InChIKeyIQVWYCBUDUURHF-UHFFFAOYSA-N
XLogP5.07
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole with MolForge

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Related Compounds

4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)-1,3-oxazole
CID 71524589
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-(6-fluoronaphthalen-2-yl)-1,3-oxazole
CID 71062020
{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-(2-naphthalen-2-yl-oxazol-4-ylmethyl)-amine
CID 11048488
1-{[2-(3,4-Dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-phenylpiperidine
CID 16191430
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-oxazol-2-yl]naphthalen-2-ol
CID 136236384
2-(6-bromonaphthalen-2-yl)-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-oxazole
CID 71524588
2-Hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde
CID 135980495
N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 16007942
2,3-Dihydro-1,4-benzodioxin-6-yl-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanone
CID 32458721
2,3-Dihydro-1,4-benzodioxin-6-yl-[1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanone
CID 36133729
2,3-Dihydro-1,4-benzodioxin-6-yl-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanone
CID 36133760
N-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 71452938

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole?
The IUPAC name of 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole (CID 71062093) is 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole is COc1cc2c(cc1OC)CN(Cc1coc(-c3ccc4ccccc4c3)n1)CC2.
What is the InChIKey of 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole?
The InChIKey is IQVWYCBUDUURHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-28-23-12-19-9-10-27(14-21(19)13-24(23)29-2)15-22-16-30-25(26-22)20-8-7-17-5-3-4-6-18(17)11-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3.
What are the key properties of 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole?
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole has a molecular weight of 400.48 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole is sourced from PubChem (CID 71062093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).