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

C18H20N2O — CID 119733412

IUPAC2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCN(C(=O)CNc2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2O/c1-14-11-12-20(17-10-6-5-9-16(14)17)18(21)13-19-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3
InChIKeyNFDVFQOCTQQQRB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.64
Rot. Bonds3

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

2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 119733412) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID119733412
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCN(C(=O)CNc2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2O/c1-14-11-12-20(17-10-6-5-9-16(14)17)18(21)13-19-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3
InChIKeyNFDVFQOCTQQQRB-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 113266315
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 75504724
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119733415
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
N-[3-(4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide
CID 110746231
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119733429
5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide
CID 97305910
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55677294
1-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanone
CID 124628895
2-(1,3-benzodioxol-5-yl)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 71938374
N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 111435585

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 119733412) is 2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CC1CCN(C(=O)CNc2ccccc2)c2ccccc21.
What is the InChIKey of 2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is NFDVFQOCTQQQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-11-12-20(17-10-6-5-9-16(14)17)18(21)13-19-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3.
What are the key properties of 2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 119733412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).