[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate

C22H21N3O6 — CID 33089518

IUPAC[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NC(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C22H21N3O6/c1-2-24-21(29)16-10-6-7-11-17(16)25(22(24)30)13-20(28)31-14-19(27)23-18(26)12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,23,26,27)
InChIKeyYMDSDTFZEOKDIO-UHFFFAOYSA-N
MW423.43 g/mol
LogP0.61
Rot. Bonds7

About [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate

[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate (PubChem CID 33089518) has the molecular formula C22H21N3O6 and a molecular weight of 423.43 g/mol. Its IUPAC name is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
PubChem CID33089518
Molecular FormulaC22H21N3O6
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NC(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C22H21N3O6/c1-2-24-21(29)16-10-6-7-11-17(16)25(22(24)30)13-20(28)31-14-19(27)23-18(26)12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,23,26,27)
InChIKeyYMDSDTFZEOKDIO-UHFFFAOYSA-N
XLogP0.61
TPSA116.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate with MolForge

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Related Compounds

ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 14423769
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442967
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442868
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
CID 97035556
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate (CID 33089518) is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The canonical SMILES for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate is CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NC(=O)Cc2ccccc2)c1=O.
What is the InChIKey of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The InChIKey is YMDSDTFZEOKDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6/c1-2-24-21(29)16-10-6-7-11-17(16)25(22(24)30)13-20(28)31-14-19(27)23-18(26)12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,23,26,27).
What are the key properties of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate has a molecular weight of 423.43 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate is sourced from PubChem (CID 33089518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).