[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C17H20N4O5 — CID 2570450

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C17H20N4O5/c1-11(2)7-18-17(25)20-14(22)9-26-15(23)8-21-10-19-13-6-4-3-5-12(13)16(21)24/h3-6,10-11H,7-9H2,1-2H3,(H2,18,20,22,25)
InChIKeyZRYZPLLIWXDXTN-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.42
Rot. Bonds6

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 2570450) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID2570450
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C17H20N4O5/c1-11(2)7-18-17(25)20-14(22)9-26-15(23)8-21-10-19-13-6-4-3-5-12(13)16(21)24/h3-6,10-11H,7-9H2,1-2H3,(H2,18,20,22,25)
InChIKeyZRYZPLLIWXDXTN-UHFFFAOYSA-N
XLogP0.42
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 2570450) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is CC(C)CNC(=O)NC(=O)COC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is ZRYZPLLIWXDXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-11(2)7-18-17(25)20-14(22)9-26-15(23)8-21-10-19-13-6-4-3-5-12(13)16(21)24/h3-6,10-11H,7-9H2,1-2H3,(H2,18,20,22,25).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 360.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 2570450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).