2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C20H24N2O — CID 46538646

IUPAC2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cc(C)cc(NCC(=O)N2c3ccccc3CCC2C)c1
InChIInChI=1S/C20H24N2O/c1-14-10-15(2)12-18(11-14)21-13-20(23)22-16(3)8-9-17-6-4-5-7-19(17)22/h4-7,10-12,16,21H,8-9,13H2,1-3H3
InChIKeyZZFMWPVMMCLNCZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.08
Rot. Bonds3

About 2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 46538646) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID46538646
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cc(C)cc(NCC(=O)N2c3ccccc3CCC2C)c1
InChIInChI=1S/C20H24N2O/c1-14-10-15(2)12-18(11-14)21-13-20(23)22-16(3)8-9-17-6-4-5-7-19(17)22/h4-7,10-12,16,21H,8-9,13H2,1-3H3
InChIKeyZZFMWPVMMCLNCZ-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 34067089
7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one
CID 154834642
2-(2,2-diphenylethylamino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 68967214
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
2-(2,4-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9081007
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616
N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 43468929
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetate
CID 112616576
1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone
CID 95612124
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151
methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
CID 109010122

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 46538646) is 2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1cc(C)cc(NCC(=O)N2c3ccccc3CCC2C)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is ZZFMWPVMMCLNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-10-15(2)12-18(11-14)21-13-20(23)22-16(3)8-9-17-6-4-5-7-19(17)22/h4-7,10-12,16,21H,8-9,13H2,1-3H3.
What are the key properties of 2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 308.43 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 46538646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).