2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C19H20F2N2O2 — CID 34067089

IUPAC2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESC[C@@H]1CCc2ccccc2N1C(=O)CNc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-13-6-7-14-4-2-3-5-17(14)23(13)18(24)12-22-15-8-10-16(11-9-15)25-19(20)21/h2-5,8-11,13,19,22H,6-7,12H2,1H3/t13-/m1/s1
InChIKeyDSGDDHGACUVQTP-CYBMUJFWSA-N
MW346.38 g/mol
LogP4.07
Rot. Bonds5

About 2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 34067089) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID34067089
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESC[C@@H]1CCc2ccccc2N1C(=O)CNc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-13-6-7-14-4-2-3-5-17(14)23(13)18(24)12-22-15-8-10-16(11-9-15)25-19(20)21/h2-5,8-11,13,19,22H,6-7,12H2,1H3/t13-/m1/s1
InChIKeyDSGDDHGACUVQTP-CYBMUJFWSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112773359
2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 46538646
7-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-3,4-dihydro-2H-isoquinolin-1-one
CID 154834642
2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103280
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109040290
2-(2,2-diphenylethylamino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 68967214
2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone
CID 43217887
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 46669289
2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone
CID 43217862
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(4-methylpiperidin-1-yl)anilino]ethanone
CID 109010553
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetate
CID 112616576

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 34067089) is 2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is C[C@@H]1CCc2ccccc2N1C(=O)CNc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is DSGDDHGACUVQTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-13-6-7-14-4-2-3-5-17(14)23(13)18(24)12-22-15-8-10-16(11-9-15)25-19(20)21/h2-5,8-11,13,19,22H,6-7,12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 346.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 34067089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).