[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate

C21H20N4O6 — CID 55444283

IUPAC[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
SMILESCOc1ccc(NC(=O)NC(=O)COC(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C21H20N4O6/c1-30-15-8-6-14(7-9-15)23-21(29)24-19(27)13-31-20(28)10-11-25-17-5-3-2-4-16(17)18(26)12-22-25/h2-9,12H,10-11,13H2,1H3,(H2,23,24,27,29)
InChIKeyBABVOEPKMFUNQK-UHFFFAOYSA-N
MW424.41 g/mol
LogP1.69
Rot. Bonds7

About [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate

[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate (PubChem CID 55444283) has the molecular formula C21H20N4O6 and a molecular weight of 424.41 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
PubChem CID55444283
Molecular FormulaC21H20N4O6
Molecular Weight424.41 g/mol
Exact Mass424.14
IUPAC Name[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
SMILESCOc1ccc(NC(=O)NC(=O)COC(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C21H20N4O6/c1-30-15-8-6-14(7-9-15)23-21(29)24-19(27)13-31-20(28)10-11-25-17-5-3-2-4-16(17)18(26)12-22-25/h2-9,12H,10-11,13H2,1H3,(H2,23,24,27,29)
InChIKeyBABVOEPKMFUNQK-UHFFFAOYSA-N
XLogP1.69
TPSA128.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate?
The IUPAC name of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate (CID 55444283) is [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate.
What is the SMILES notation for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate?
The canonical SMILES for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate is COc1ccc(NC(=O)NC(=O)COC(=O)CCn2ncc(=O)c3ccccc32)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate?
The InChIKey is BABVOEPKMFUNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O6/c1-30-15-8-6-14(7-9-15)23-21(29)24-19(27)13-31-20(28)10-11-25-17-5-3-2-4-16(17)18(26)12-22-25/h2-9,12H,10-11,13H2,1H3,(H2,23,24,27,29).
What are the key properties of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate?
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate has a molecular weight of 424.41 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate is sourced from PubChem (CID 55444283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).