1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride

C18H22ClNO3 — CID 2748202

IUPAC1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
SMILESCOc1ccc2cc(C(=O)CC[NH+]3CCOCC3)ccc2c1.[Cl-]
InChIInChI=1S/C18H21NO3.ClH/c1-21-17-5-4-14-12-16(3-2-15(14)13-17)18(20)6-7-19-8-10-22-11-9-19;/h2-5,12-13H,6-11H2,1H3;1H
InChIKeyIYVLCHDRPDKPQT-UHFFFAOYSA-N
MW335.83 g/mol
LogP-1.66
Rot. Bonds5

About 1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride

1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride (PubChem CID 2748202) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
PubChem CID2748202
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
SMILESCOc1ccc2cc(C(=O)CC[NH+]3CCOCC3)ccc2c1.[Cl-]
InChIInChI=1S/C18H21NO3.ClH/c1-21-17-5-4-14-12-16(3-2-15(14)13-17)18(20)6-7-19-8-10-22-11-9-19;/h2-5,12-13H,6-11H2,1H3;1H
InChIKeyIYVLCHDRPDKPQT-UHFFFAOYSA-N
XLogP-1.66
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one
CID 7033556
3-morpholin-4-ium-4-yl-1-(4-pentoxyphenyl)propan-1-one chloride
CID 44659622
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 146007341
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 4742368
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547
[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-[3-[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]-3-oxopropyl]azanium dichloride
CID 110180079
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
CID 59200508
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride (CID 2748202) is 1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride is COc1ccc2cc(C(=O)CC[NH+]3CCOCC3)ccc2c1.[Cl-].
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride?
The InChIKey is IYVLCHDRPDKPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3.ClH/c1-21-17-5-4-14-12-16(3-2-15(14)13-17)18(20)6-7-19-8-10-22-11-9-19;/h2-5,12-13H,6-11H2,1H3;1H.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride?
1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride has a molecular weight of 335.83 g/mol, XLogP of -1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride is sourced from PubChem (CID 2748202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).