[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate

C22H22N2O6 — CID 55366574

IUPAC[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H22N2O6/c1-2-29-19-6-4-3-5-16(19)22(28)23-12-21(27)30-13-18(25)15-7-9-17-14(11-15)8-10-20(26)24-17/h3-7,9,11H,2,8,10,12-13H2,1H3,(H,23,28)(H,24,26)
InChIKeyCZRAOFICOLVPJY-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.13
Rot. Bonds8

About [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 55366574) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID55366574
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H22N2O6/c1-2-29-19-6-4-3-5-16(19)22(28)23-12-21(27)30-13-18(25)15-7-9-17-14(11-15)8-10-20(26)24-17/h3-7,9,11H,2,8,10,12-13H2,1H3,(H,23,28)(H,24,26)
InChIKeyCZRAOFICOLVPJY-UHFFFAOYSA-N
XLogP2.13
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-phenylacetyl)amino]acetate
CID 55365962
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701750
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 31666708
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662107
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807725
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 55366724
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 35663121
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-[ethyl(methyl)amino]benzoate
CID 71884386
6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 51183735

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate (CID 55366574) is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=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] 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is CZRAOFICOLVPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-2-29-19-6-4-3-5-16(19)22(28)23-12-21(27)30-13-18(25)15-7-9-17-14(11-15)8-10-20(26)24-17/h3-7,9,11H,2,8,10,12-13H2,1H3,(H,23,28)(H,24,26).
What are the key properties of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 410.43 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 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] 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 55366574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).