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

C19H20N2O2 — CID 9080074

IUPAC2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O2/c1-14(22)15-8-10-17(11-9-15)20-13-19(23)21-12-4-6-16-5-2-3-7-18(16)21/h2-3,5,7-11,20H,4,6,12-13H2,1H3
InChIKeyNTKBBDXLDYMYKJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.28
Rot. Bonds4

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

2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 9080074) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID9080074
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O2/c1-14(22)15-8-10-17(11-9-15)20-13-19(23)21-12-4-6-16-5-2-3-7-18(16)21/h2-3,5,7-11,20H,4,6,12-13H2,1H3
InChIKeyNTKBBDXLDYMYKJ-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838496
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
CID 54822111
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842857
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 1443725
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839210
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethanone
CID 68969181
4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]methyl]benzoic acid
CID 122035247

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 9080074) is 2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is CC(=O)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is NTKBBDXLDYMYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(22)15-8-10-17(11-9-15)20-13-19(23)21-12-4-6-16-5-2-3-7-18(16)21/h2-3,5,7-11,20H,4,6,12-13H2,1H3.
What are the key properties of 2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 308.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 9080074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).