[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate

C26H22N4O5 — CID 31653712

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H22N4O5/c1-17-28-22-10-6-5-9-21(22)24(32)30(17)20-13-11-19(12-14-20)25(33)35-16-23(31)29-26(34)27-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H2,27,29,31,34)
InChIKeyLVZBRXXAXUUDAJ-UHFFFAOYSA-N
MW470.49 g/mol
LogP2.88
Rot. Bonds6

About [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate

[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate (PubChem CID 31653712) has the molecular formula C26H22N4O5 and a molecular weight of 470.49 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
PubChem CID31653712
Molecular FormulaC26H22N4O5
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H22N4O5/c1-17-28-22-10-6-5-9-21(22)24(32)30(17)20-13-11-19(12-14-20)25(33)35-16-23(31)29-26(34)27-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H2,27,29,31,34)
InChIKeyLVZBRXXAXUUDAJ-UHFFFAOYSA-N
XLogP2.88
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate with MolForge

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Related Compounds

ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 31653327
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784
1-benzyl-3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiourea
CID 35785421
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 8949664
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 55367536
(3-nitrophenyl)methyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 31652699
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592643
N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776780
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043534
N-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55368453
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate (CID 31653712) is [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The InChIKey is LVZBRXXAXUUDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O5/c1-17-28-22-10-6-5-9-21(22)24(32)30(17)20-13-11-19(12-14-20)25(33)35-16-23(31)29-26(34)27-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H2,27,29,31,34).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate has a molecular weight of 470.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate is sourced from PubChem (CID 31653712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).