2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

C21H23NO2 — CID 86574848

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(CN1CCc3ccccc3C1)C2=O
InChIInChI=1S/C21H23NO2/c1-24-19-8-9-20-16(12-19)6-7-18(21(20)23)14-22-11-10-15-4-2-3-5-17(15)13-22/h2-5,8-9,12,18H,6-7,10-11,13-14H2,1H3
InChIKeySFIQQPWEPITXLB-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.50
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 86574848) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID86574848
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(CN1CCc3ccccc3C1)C2=O
InChIInChI=1S/C21H23NO2/c1-24-19-8-9-20-16(12-19)6-7-18(21(20)23)14-22-11-10-15-4-2-3-5-17(15)13-22/h2-5,8-9,12,18H,6-7,10-11,13-14H2,1H3
InChIKeySFIQQPWEPITXLB-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one
CID 22273782
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 141336166
6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 12067529
2-[[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methyl]-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 54114379
2-(piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 82096986
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
2-[[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 59799721
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 86574848) is 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1)CCC(CN1CCc3ccccc3C1)C2=O.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is SFIQQPWEPITXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-24-19-8-9-20-16(12-19)6-7-18(21(20)23)14-22-11-10-15-4-2-3-5-17(15)13-22/h2-5,8-9,12,18H,6-7,10-11,13-14H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 321.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 86574848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).