[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

C23H25N3O6 — CID 42085540

IUPAC[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCCOc1ccc(OCC)c(NC(=O)COC(=O)Cn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C23H25N3O6/c1-4-30-16-9-10-19(31-5-2)18(11-16)25-20(27)13-32-21(28)12-26-14-24-22-15(3)7-6-8-17(22)23(26)29/h6-11,14H,4-5,12-13H2,1-3H3,(H,25,27)
InChIKeyLUZWTTOGCXUOON-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.68
Rot. Bonds9

About [2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (PubChem CID 42085540) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is [2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
PubChem CID42085540
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCCOc1ccc(OCC)c(NC(=O)COC(=O)Cn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C23H25N3O6/c1-4-30-16-9-10-19(31-5-2)18(11-16)25-20(27)13-32-21(28)12-26-14-24-22-15(3)7-6-8-17(22)23(26)29/h6-11,14H,4-5,12-13H2,1-3H3,(H,25,27)
InChIKeyLUZWTTOGCXUOON-UHFFFAOYSA-N
XLogP2.68
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate with MolForge

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Related Compounds

[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938467
ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate
CID 39268281
[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938357
N-(2,5-diethoxyphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 41295505
2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649032
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486051
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486199
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27823117

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (CID 42085540) is [2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is CCOc1ccc(OCC)c(NC(=O)COC(=O)Cn2cnc3c(C)cccc3c2=O)c1.
What is the InChIKey of [2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The InChIKey is LUZWTTOGCXUOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-4-30-16-9-10-19(31-5-2)18(11-16)25-20(27)13-32-21(28)12-26-14-24-22-15(3)7-6-8-17(22)23(26)29/h6-11,14H,4-5,12-13H2,1-3H3,(H,25,27).
What are the key properties of [2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate has a molecular weight of 439.47 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 42085540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).