6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one

C20H22N2O3 — CID 15157779

IUPAC6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one
SMILESCCN(CC(O)COc1ccc2[nH]c(=O)ccc2c1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-2-22(16-6-4-3-5-7-16)13-17(23)14-25-18-9-10-19-15(12-18)8-11-20(24)21-19/h3-12,17,23H,2,13-14H2,1H3,(H,21,24)
InChIKeyZUCGESUZDGNGJD-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.79
Rot. Bonds7

About 6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one

6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one (PubChem CID 15157779) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one
PubChem CID15157779
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one
SMILESCCN(CC(O)COc1ccc2[nH]c(=O)ccc2c1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-2-22(16-6-4-3-5-7-16)13-17(23)14-25-18-9-10-19-15(12-18)8-11-20(24)21-19/h3-12,17,23H,2,13-14H2,1H3,(H,21,24)
InChIKeyZUCGESUZDGNGJD-UHFFFAOYSA-N
XLogP2.79
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 10316012
6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one
CID 15157871
6-[3-[2-(benzenesulfonyl)ethyl-methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 10364598
6-[(2S)-3-[(3-ethoxyphenyl)methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one;hydrochloride
CID 18647172
1-(N-ethyl-3-methylanilino)-3-[4-[3-(N-ethyl-3-methylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133401
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
ethyl 3-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoate
CID 20563580
6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one
CID 10019540
6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 67250978
7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one
CID 177262317
7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium
CID 177262297
(2S)-1-[4-[bis[(2R)-2-hydroxy-3-phenoxypropyl]amino]-N-[(2S)-2-hydroxy-3-phenoxypropyl]anilino]-3-phenoxypropan-2-ol
CID 99654291

Frequently Asked Questions

What is the IUPAC name of 6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one (CID 15157779) is 6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one is CCN(CC(O)COc1ccc2[nH]c(=O)ccc2c1)c1ccccc1.
What is the InChIKey of 6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one?
The InChIKey is ZUCGESUZDGNGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-22(16-6-4-3-5-7-16)13-17(23)14-25-18-9-10-19-15(12-18)8-11-20(24)21-19/h3-12,17,23H,2,13-14H2,1H3,(H,21,24).
What are the key properties of 6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one?
6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one is sourced from PubChem (CID 15157779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).