[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate

C21H18N2O5 — CID 9487265

IUPAC[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H18N2O5/c1-13(28-17-6-2-14(11-22)3-7-17)21(26)27-12-19(24)16-4-8-18-15(10-16)5-9-20(25)23-18/h2-4,6-8,10,13H,5,9,12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyYZQFZLNFDKJYQP-ZDUSSCGKSA-N
MW378.38 g/mol
LogP2.64
Rot. Bonds6

About [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate (PubChem CID 9487265) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
PubChem CID9487265
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H18N2O5/c1-13(28-17-6-2-14(11-22)3-7-17)21(26)27-12-19(24)16-4-8-18-15(10-16)5-9-20(25)23-18/h2-4,6-8,10,13H,5,9,12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyYZQFZLNFDKJYQP-ZDUSSCGKSA-N
XLogP2.64
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate with MolForge

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Related Compounds

[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8510718
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 9487246
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 55366724
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
CID 63576489
4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile
CID 47044616
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126270
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-[ethyl(methyl)amino]benzoate
CID 71884386
(3,3-dimethyl-2-oxobutyl) (2S)-2-(4-cyanophenoxy)propanoate
CID 7984032

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate (CID 9487265) is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate is C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The InChIKey is YZQFZLNFDKJYQP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-13(28-17-6-2-14(11-22)3-7-17)21(26)27-12-19(24)16-4-8-18-15(10-16)5-9-20(25)23-18/h2-4,6-8,10,13H,5,9,12H2,1H3,(H,23,25)/t13-/m0/s1.
What are the key properties of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate has a molecular weight of 378.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 9487265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).