[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate

C27H24N4O5 — CID 55367536

IUPAC[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCCNC(=O)NC(=O)C(OC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccccc1
InChIInChI=1S/C27H24N4O5/c1-3-28-27(35)30-24(32)23(18-9-5-4-6-10-18)36-26(34)19-13-15-20(16-14-19)31-17(2)29-22-12-8-7-11-21(22)25(31)33/h4-16,23H,3H2,1-2H3,(H2,28,30,32,35)
InChIKeyIEUCLHKWXWACDW-UHFFFAOYSA-N
MW484.51 g/mol
LogP3.44
Rot. Bonds6

About [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate

[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate (PubChem CID 55367536) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
PubChem CID55367536
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC Name[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCCNC(=O)NC(=O)C(OC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccccc1
InChIInChI=1S/C27H24N4O5/c1-3-28-27(35)30-24(32)23(18-9-5-4-6-10-18)36-26(34)19-13-15-20(16-14-19)31-17(2)29-22-12-8-7-11-21(22)25(31)33/h4-16,23H,3H2,1-2H3,(H2,28,30,32,35)
InChIKeyIEUCLHKWXWACDW-UHFFFAOYSA-N
XLogP3.44
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate with MolForge

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Related Compounds

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7862107
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
CID 7351543
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-aminobenzoate
CID 7781331
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 7785331
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-hydroxy-4-methylbenzoate
CID 55460171
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 8996511
[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 31653712
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate
CID 8708894
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839938
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate
CID 8017831
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylsulfamoyl)benzoate
CID 55316693

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate (CID 55367536) is [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate is CCNC(=O)NC(=O)C(OC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccccc1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The InChIKey is IEUCLHKWXWACDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-3-28-27(35)30-24(32)23(18-9-5-4-6-10-18)36-26(34)19-13-15-20(16-14-19)31-17(2)29-22-12-8-7-11-21(22)25(31)33/h4-16,23H,3H2,1-2H3,(H2,28,30,32,35).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate has a molecular weight of 484.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate is sourced from PubChem (CID 55367536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).