3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole

C16H20N2O3 — CID 56810171

IUPAC3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole
SMILESCOc1cc2c(cc1OC)CN(Cc1cc(C)on1)CC2
InChIInChI=1S/C16H20N2O3/c1-11-6-14(17-21-11)10-18-5-4-12-7-15(19-2)16(20-3)8-13(12)9-18/h6-8H,4-5,9-10H2,1-3H3
InChIKeyMFBPNJPACVWZQI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.56
Rot. Bonds4

About 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole

3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 56810171) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID56810171
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole
SMILESCOc1cc2c(cc1OC)CN(Cc1cc(C)on1)CC2
InChIInChI=1S/C16H20N2O3/c1-11-6-14(17-21-11)10-18-5-4-12-7-15(19-2)16(20-3)8-13(12)9-18/h6-8H,4-5,9-10H2,1-3H3
InChIKeyMFBPNJPACVWZQI-UHFFFAOYSA-N
XLogP2.56
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole
CID 71458168
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl-trimethylsilane
CID 10085031
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 25225119
6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1377084
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
6,7-dimethoxy-2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3710877
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 4901222
7-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17393947
[3-[(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751433
3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole
CID 24931119

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole (CID 56810171) is 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole is COc1cc2c(cc1OC)CN(Cc1cc(C)on1)CC2.
What is the InChIKey of 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is MFBPNJPACVWZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-6-14(17-21-11)10-18-5-4-12-7-15(19-2)16(20-3)8-13(12)9-18/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole?
3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 288.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 56810171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).