dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride

C13H19ClN2O — CID 18228

IUPACdimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride
SMILESC[NH+](C)CCN1C(=O)CCc2ccccc21.[Cl-]
InChIInChI=1S/C13H18N2O.ClH/c1-14(2)9-10-15-12-6-4-3-5-11(12)7-8-13(15)16;/h3-6H,7-10H2,1-2H3;1H
InChIKeyLXCOMOVWFAXNTC-UHFFFAOYSA-N
MW254.76 g/mol
LogP-2.89
Rot. Bonds3

About dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride

dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride (PubChem CID 18228) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride
PubChem CID18228
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Namedimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride
SMILESC[NH+](C)CCN1C(=O)CCc2ccccc21.[Cl-]
InChIInChI=1S/C13H18N2O.ClH/c1-14(2)9-10-15-12-6-4-3-5-11(12)7-8-13(15)16;/h3-6H,7-10H2,1-2H3;1H
InChIKeyLXCOMOVWFAXNTC-UHFFFAOYSA-N
XLogP-2.89
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 5-2.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 4342
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CID 175804
Bupivacaine Hydrochloride
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2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride (1:1), (2S)-
CID 117965
Acecainide Hydrochloride
CID 71417
Hydrocarbostyril
CID 64796
2',6'-Pipecoloxylidide
CID 115282
PF-04859989
CID 22868923
(+)-Mepivacaine
CID 3032799

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride?
The IUPAC name of dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride (CID 18228) is dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride is C[NH+](C)CCN1C(=O)CCc2ccccc21.[Cl-].
What is the InChIKey of dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride?
The InChIKey is LXCOMOVWFAXNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-14(2)9-10-15-12-6-4-3-5-11(12)7-8-13(15)16;/h3-6H,7-10H2,1-2H3;1H.
What are the key properties of dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride?
dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride has a molecular weight of 254.76 g/mol, XLogP of -2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride is sourced from PubChem (CID 18228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).