dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride

C18H24ClNO4 — CID 110182318

IUPACdimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride
SMILESCOc1cc2cc(C(=O)CC[NH+](C)C)ccc2c(OC)c1OC.[Cl-]
InChIInChI=1S/C18H23NO4.ClH/c1-19(2)9-8-15(20)12-6-7-14-13(10-12)11-16(21-3)18(23-5)17(14)22-4;/h6-7,10-11H,8-9H2,1-5H3;1H
InChIKeyHXCJWJXJWHKZQF-UHFFFAOYSA-N
MW353.85 g/mol
LogP-1.41
Rot. Bonds7

About dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride

dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride (PubChem CID 110182318) has the molecular formula C18H24ClNO4 and a molecular weight of 353.85 g/mol. Its IUPAC name is dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride
PubChem CID110182318
Molecular FormulaC18H24ClNO4
Molecular Weight353.85 g/mol
Exact Mass353.14
IUPAC Namedimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride
SMILESCOc1cc2cc(C(=O)CC[NH+](C)C)ccc2c(OC)c1OC.[Cl-]
InChIInChI=1S/C18H23NO4.ClH/c1-19(2)9-8-15(20)12-6-7-14-13(10-12)11-16(21-3)18(23-5)17(14)22-4;/h6-7,10-11H,8-9H2,1-5H3;1H
InChIKeyHXCJWJXJWHKZQF-UHFFFAOYSA-N
XLogP-1.41
TPSA49.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(5,6,7-trimethoxynaphthalen-2-yl)propan-1-one
CID 110182502
6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid
CID 110181550
[3-(3,4-dichlorophenyl)-3-oxopropyl]-dimethylazanium chloride
CID 10968004
bis[3-(4-methoxyphenyl)-3-oxopropyl]-methylazanium chloride
CID 11760996
5,6,7-trimethoxyphenanthrene-3-carboxylic acid
CID 174758536
(5,6,7-trimethoxynaphthalen-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110182317
3-chloro-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 67816267
morpholin-4-yl-(5,6,7-trimethoxynaphthalen-2-yl)methanethione
CID 110182583
1-(4-bromo-3-methoxyphenyl)-3-chloropropan-1-one
CID 118830209
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride?
The IUPAC name of dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride (CID 110182318) is dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride.
What is the SMILES notation for dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride?
The canonical SMILES for dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride is COc1cc2cc(C(=O)CC[NH+](C)C)ccc2c(OC)c1OC.[Cl-].
What is the InChIKey of dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride?
The InChIKey is HXCJWJXJWHKZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4.ClH/c1-19(2)9-8-15(20)12-6-7-14-13(10-12)11-16(21-3)18(23-5)17(14)22-4;/h6-7,10-11H,8-9H2,1-5H3;1H.
What are the key properties of dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride?
dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride has a molecular weight of 353.85 g/mol, XLogP of -1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-oxo-3-(5,6,7-trimethoxynaphthalen-2-yl)propyl]azanium chloride is sourced from PubChem (CID 110182318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).