[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate

C28H27N3O5 — CID 55442742

IUPAC[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCCn1c(=O)c2ccccc2n(CC(=O)OC(C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)c1=O
InChIInChI=1S/C28H27N3O5/c1-4-30-27(34)22-12-8-9-13-23(22)31(28(30)35)17-24(32)36-25(20-10-6-5-7-11-20)26(33)29-21-15-18(2)14-19(3)16-21/h5-16,25H,4,17H2,1-3H3,(H,29,33)
InChIKeyDAOUZIKCZGWXNY-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.72
Rot. Bonds7

About [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate

[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate (PubChem CID 55442742) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
PubChem CID55442742
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCCn1c(=O)c2ccccc2n(CC(=O)OC(C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)c1=O
InChIInChI=1S/C28H27N3O5/c1-4-30-27(34)22-12-8-9-13-23(22)31(28(30)35)17-24(32)36-25(20-10-6-5-7-11-20)26(33)29-21-15-18(2)14-19(3)16-21/h5-16,25H,4,17H2,1-3H3,(H,29,33)
InChIKeyDAOUZIKCZGWXNY-UHFFFAOYSA-N
XLogP3.72
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442868
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987560
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51248297
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 2340275
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 33089518
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate
CID 7796632

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The IUPAC name of [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate (CID 55442742) is [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate.
What is the SMILES notation for [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The canonical SMILES for [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate is CCn1c(=O)c2ccccc2n(CC(=O)OC(C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)c1=O.
What is the InChIKey of [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The InChIKey is DAOUZIKCZGWXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-4-30-27(34)22-12-8-9-13-23(22)31(28(30)35)17-24(32)36-25(20-10-6-5-7-11-20)26(33)29-21-15-18(2)14-19(3)16-21/h5-16,25H,4,17H2,1-3H3,(H,29,33).
What are the key properties of [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate has a molecular weight of 485.54 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate is sourced from PubChem (CID 55442742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).