ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate

C27H25N3O6 — CID 168552483

IUPACethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2OCC)cc1
InChIInChI=1S/C27H25N3O6/c1-3-34-23-15-18(25-29-21-8-6-5-7-20(21)26(32)30-25)11-14-22(23)36-16-24(31)28-19-12-9-17(10-13-19)27(33)35-4-2/h5-15H,3-4,16H2,1-2H3,(H,28,31)(H,29,30,32)
InChIKeyXGNLHRHYEQKJJO-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.18
Rot. Bonds9

About ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate

ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate (PubChem CID 168552483) has the molecular formula C27H25N3O6 and a molecular weight of 487.51 g/mol. Its IUPAC name is ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate
PubChem CID168552483
Molecular FormulaC27H25N3O6
Molecular Weight487.51 g/mol
Exact Mass487.17
IUPAC Nameethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2OCC)cc1
InChIInChI=1S/C27H25N3O6/c1-3-34-23-15-18(25-29-21-8-6-5-7-20(21)26(32)30-25)11-14-22(23)36-16-24(31)28-19-12-9-17(10-13-19)27(33)35-4-2/h5-15H,3-4,16H2,1-2H3,(H,28,31)(H,29,30,32)
InChIKeyXGNLHRHYEQKJJO-UHFFFAOYSA-N
XLogP4.18
TPSA119.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155550888
N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168551679
[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate
CID 168552283
2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide
CID 168552534
N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155546769
N-(4-methylphenyl)-2-[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168552578
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 168552478
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
ethyl 4-[[2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetyl]amino]benzoate
CID 169383326
ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate
CID 7763576
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate (CID 168552483) is ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2OCC)cc1.
What is the InChIKey of ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate?
The InChIKey is XGNLHRHYEQKJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6/c1-3-34-23-15-18(25-29-21-8-6-5-7-20(21)26(32)30-25)11-14-22(23)36-16-24(31)28-19-12-9-17(10-13-19)27(33)35-4-2/h5-15H,3-4,16H2,1-2H3,(H,28,31)(H,29,30,32).
What are the key properties of ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate?
ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate has a molecular weight of 487.51 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 168552483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).