ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate

C21H21N3O5 — CID 39268281

IUPACethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C21H21N3O5/c1-3-28-19(26)12-29-16-8-5-7-15(10-16)23-18(25)11-24-13-22-20-14(2)6-4-9-17(20)21(24)27/h4-10,13H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyFNKZPQFUSWFDFZ-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.29
Rot. Bonds7

About ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate

ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate (PubChem CID 39268281) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate
PubChem CID39268281
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Nameethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C21H21N3O5/c1-3-28-19(26)12-29-16-8-5-7-15(10-16)23-18(25)11-24-13-22-20-14(2)6-4-9-17(20)21(24)27/h4-10,13H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyFNKZPQFUSWFDFZ-UHFFFAOYSA-N
XLogP2.29
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate with MolForge

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Related Compounds

N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 43049163
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 27033610
[2-(2,5-diethoxyanilino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 42085540
methyl 3-[2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]ethynyl]benzoate
CID 46633235
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649032
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate (CID 39268281) is ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c1.
What is the InChIKey of ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate?
The InChIKey is FNKZPQFUSWFDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-3-28-19(26)12-29-16-8-5-7-15(10-16)23-18(25)11-24-13-22-20-14(2)6-4-9-17(20)21(24)27/h4-10,13H,3,11-12H2,1-2H3,(H,23,25).
What are the key properties of ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate?
ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate has a molecular weight of 395.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate is sourced from PubChem (CID 39268281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).