1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride

C12H17ClN2O — CID 175798296

IUPAC1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCNCC1CC(=O)N(C)c2ccccc21.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-13-8-9-7-12(15)14(2)11-6-4-3-5-10(9)11;/h3-6,9,13H,7-8H2,1-2H3;1H
InChIKeyIGOCWPSHVFGKTD-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.78
Rot. Bonds2

About 1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride

1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride (PubChem CID 175798296) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride
PubChem CID175798296
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCNCC1CC(=O)N(C)c2ccccc21.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-13-8-9-7-12(15)14(2)11-6-4-3-5-10(9)11;/h3-6,9,13H,7-8H2,1-2H3;1H
InChIKeyIGOCWPSHVFGKTD-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one
CID 72914980
(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride
CID 165145531
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
2-(2,5-dioxoimidazolidin-1-yl)-N-[[(4R)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]acetamide
CID 99927072
6-methyl-N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-4-oxopyran-2-carboxamide
CID 99959426
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 77092972
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 86286950
N-[[(4R)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 99973520
N-[[(4S)-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 99949809
(4S)-4-[[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 97148157
2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide
CID 90651519
(4S)-4-[[(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 97205895

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride?
The IUPAC name of 1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride (CID 175798296) is 1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride.
What is the SMILES notation for 1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride?
The canonical SMILES for 1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride is CNCC1CC(=O)N(C)c2ccccc21.Cl.
What is the InChIKey of 1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride?
The InChIKey is IGOCWPSHVFGKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-13-8-9-7-12(15)14(2)11-6-4-3-5-10(9)11;/h3-6,9,13H,7-8H2,1-2H3;1H.
What are the key properties of 1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride?
1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylaminomethyl)-3,4-dihydroquinolin-2-one;hydrochloride is sourced from PubChem (CID 175798296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).