6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one

C21H24N2O3 — CID 10316012

IUPAC6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one
SMILESCCN(Cc1ccccc1)CC(O)COc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C21H24N2O3/c1-2-23(13-16-6-4-3-5-7-16)14-18(24)15-26-19-9-10-20-17(12-19)8-11-21(25)22-20/h3-12,18,24H,2,13-15H2,1H3,(H,22,25)
InChIKeyQDXFWCAUHSXDNJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.79
Rot. Bonds8

About 6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one

6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one (PubChem CID 10316012) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one
PubChem CID10316012
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one
SMILESCCN(Cc1ccccc1)CC(O)COc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C21H24N2O3/c1-2-23(13-16-6-4-3-5-7-16)14-18(24)15-26-19-9-10-20-17(12-19)8-11-21(25)22-20/h3-12,18,24H,2,13-15H2,1H3,(H,22,25)
InChIKeyQDXFWCAUHSXDNJ-UHFFFAOYSA-N
XLogP2.79
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(N-ethylanilino)-2-hydroxypropoxy]-1H-quinolin-2-one
CID 15157779
(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1368771
1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2884745
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 3395727
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
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
6-[(2S)-3-[(3-ethoxyphenyl)methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one;hydrochloride
CID 18647172
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
CID 2916434
1-[benzyl-[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 132585804

Frequently Asked Questions

What is the IUPAC name of 6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one (CID 10316012) is 6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one is CCN(Cc1ccccc1)CC(O)COc1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of 6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one?
The InChIKey is QDXFWCAUHSXDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-23(13-16-6-4-3-5-7-16)14-18(24)15-26-19-9-10-20-17(12-19)8-11-21(25)22-20/h3-12,18,24H,2,13-15H2,1H3,(H,22,25).
What are the key properties of 6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one?
6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one is sourced from PubChem (CID 10316012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).