(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium

C15H22NO3+ — CID 4518460

IUPAC(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium
SMILESCOc1cc2c(cc1OC)C(=O)C(C[NH+](C)C)CC2
InChIInChI=1S/C15H21NO3/c1-16(2)9-11-6-5-10-7-13(18-3)14(19-4)8-12(10)15(11)17/h7-8,11H,5-6,9H2,1-4H3/p+1
InChIKeyJGSXOHUJTPAGBV-UHFFFAOYSA-O
MW264.34 g/mol
LogP0.59
Rot. Bonds4

About (6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium

(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium (PubChem CID 4518460) has the molecular formula C15H22NO3+ and a molecular weight of 264.34 g/mol. Its IUPAC name is (6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium.

Molecular Properties

Compound Name(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium
PubChem CID4518460
Molecular FormulaC15H22NO3+
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium
SMILESCOc1cc2c(cc1OC)C(=O)C(C[NH+](C)C)CC2
InChIInChI=1S/C15H21NO3/c1-16(2)9-11-6-5-10-7-13(18-3)14(19-4)8-12(10)15(11)17/h7-8,11H,5-6,9H2,1-4H3/p+1
InChIKeyJGSXOHUJTPAGBV-UHFFFAOYSA-O
XLogP0.59
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[2-(3,4-dichlorophenyl)ethyl-methylamino]propyl]-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70363586
2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 22755555
3-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
CID 14128308
2-(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-hydroxyacetic acid
CID 10755171
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
2-[(E)-but-2-enyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 19036380
6,7-dimethoxy-2-[[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 54259433
2-[[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]methyl]-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 54114379
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
(2S,10aS)-2-ethyl-6,7-dimethoxy-2,9,10,10a-tetrahydro-1H-phenanthren-3-one
CID 125489121
(4S)-8,9-dimethoxy-1,2,3,4,5,6-hexahydrobenzo[e]azulen-4-amine
CID 140974599
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium?
The IUPAC name of (6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium (CID 4518460) is (6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium.
What is the SMILES notation for (6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium?
The canonical SMILES for (6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium is COc1cc2c(cc1OC)C(=O)C(C[NH+](C)C)CC2.
What is the InChIKey of (6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium?
The InChIKey is JGSXOHUJTPAGBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21NO3/c1-16(2)9-11-6-5-10-7-13(18-3)14(19-4)8-12(10)15(11)17/h7-8,11H,5-6,9H2,1-4H3/p+1.
What are the key properties of (6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium?
(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium has a molecular weight of 264.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium is sourced from PubChem (CID 4518460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).