2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride

C18H21ClN2O — CID 119776726

IUPAC2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
SMILESCC1Cc2ccccc2N(C(=O)CNc2ccccc2)C1.Cl
InChIInChI=1S/C18H20N2O.ClH/c1-14-11-15-7-5-6-10-17(15)20(13-14)18(21)12-19-16-8-3-2-4-9-16;/h2-10,14,19H,11-13H2,1H3;1H
InChIKeyZDTVINPFUOBOKG-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.75
Rot. Bonds3

About 2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride

2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride (PubChem CID 119776726) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
PubChem CID119776726
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
SMILESCC1Cc2ccccc2N(C(=O)CNc2ccccc2)C1.Cl
InChIInChI=1S/C18H20N2O.ClH/c1-14-11-15-7-5-6-10-17(15)20(13-14)18(21)12-19-16-8-3-2-4-9-16;/h2-10,14,19H,11-13H2,1H3;1H
InChIKeyZDTVINPFUOBOKG-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 115612180
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one
CID 166787687
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
3-methyl-N-prop-2-ynyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 86768829
(2R)-4-hydroxy-2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 107827789
2-hydroxy-4-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 107839949
3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 81079948
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride (CID 119776726) is 2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride is CC1Cc2ccccc2N(C(=O)CNc2ccccc2)C1.Cl.
What is the InChIKey of 2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride?
The InChIKey is ZDTVINPFUOBOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.ClH/c1-14-11-15-7-5-6-10-17(15)20(13-14)18(21)12-19-16-8-3-2-4-9-16;/h2-10,14,19H,11-13H2,1H3;1H.
What are the key properties of 2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride?
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119776726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).