(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone

C18H19NO3 — CID 110726074

IUPAC(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1ccccc1OC)C2
InChIInChI=1S/C18H19NO3/c1-21-15-8-7-14-12-19(10-9-13(14)11-15)18(20)16-5-3-4-6-17(16)22-2/h3-8,11H,9-10,12H2,1-2H3
InChIKeyRQGCDRMIHDTULP-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.90
Rot. Bonds3

About (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone

(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone (PubChem CID 110726074) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
PubChem CID110726074
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1ccccc1OC)C2
InChIInChI=1S/C18H19NO3/c1-21-15-8-7-14-12-19(10-9-13(14)11-15)18(20)16-5-3-4-6-17(16)22-2/h3-8,11H,9-10,12H2,1-2H3
InChIKeyRQGCDRMIHDTULP-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone
CID 91789631
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 18118711
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098
3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone
CID 9113222
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726071
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 15718698
3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile
CID 110726073

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone (CID 110726074) is (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone is COc1ccc2c(c1)CCN(C(=O)c1ccccc1OC)C2.
What is the InChIKey of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone?
The InChIKey is RQGCDRMIHDTULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-15-8-7-14-12-19(10-9-13(14)11-15)18(20)16-5-3-4-6-17(16)22-2/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone?
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone has a molecular weight of 297.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 110726074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).