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

C19H22N2O2 — CID 54825851

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
SMILESCCOc1cccc(NCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-2-23-17-10-5-9-16(13-17)20-14-19(22)21-12-6-8-15-7-3-4-11-18(15)21/h3-5,7,9-11,13,20H,2,6,8,12,14H2,1H3
InChIKeyVEGCHPAVWVRYDY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.48
Rot. Bonds5

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone (PubChem CID 54825851) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
PubChem CID54825851
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
SMILESCCOc1cccc(NCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-2-23-17-10-5-9-16(13-17)20-14-19(22)21-12-6-8-15-7-3-4-11-18(15)21/h3-5,7,9-11,13,20H,2,6,8,12,14H2,1H3
InChIKeyVEGCHPAVWVRYDY-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
CID 54825093
2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54823310
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-(4-heptoxyanilino)ethanone
CID 54822111
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]ethanone
CID 54843456
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethoxy)anilino]ethanone
CID 55542143
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone
CID 54836679
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone (CID 54825851) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone is CCOc1cccc(NCC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone?
The InChIKey is VEGCHPAVWVRYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-23-17-10-5-9-16(13-17)20-14-19(22)21-12-6-8-15-7-3-4-11-18(15)21/h3-5,7,9-11,13,20H,2,6,8,12,14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone has a molecular weight of 310.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone is sourced from PubChem (CID 54825851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).