2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide

C24H20BrN3O4 — CID 168552534

IUPAC2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide
SMILESCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)c(Br)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H20BrN3O4/c1-2-31-20-12-17(23-27-19-11-7-6-10-16(19)24(30)28-23)18(25)13-21(20)32-14-22(29)26-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,26,29)(H,27,28,30)
InChIKeyVKFWSKULMYMLEM-UHFFFAOYSA-N
MW494.35 g/mol
LogP4.77
Rot. Bonds7

About 2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide

2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide (PubChem CID 168552534) has the molecular formula C24H20BrN3O4 and a molecular weight of 494.35 g/mol. Its IUPAC name is 2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide
PubChem CID168552534
Molecular FormulaC24H20BrN3O4
Molecular Weight494.35 g/mol
Exact Mass493.06
IUPAC Name2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide
SMILESCCOc1cc(-c2nc3ccccc3c(=O)[nH]2)c(Br)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H20BrN3O4/c1-2-31-20-12-17(23-27-19-11-7-6-10-16(19)24(30)28-23)18(25)13-21(20)32-14-22(29)26-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,26,29)(H,27,28,30)
InChIKeyVKFWSKULMYMLEM-UHFFFAOYSA-N
XLogP4.77
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.35
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide (CID 168552534) is 2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide is CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)c(Br)cc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide?
The InChIKey is VKFWSKULMYMLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O4/c1-2-31-20-12-17(23-27-19-11-7-6-10-16(19)24(30)28-23)18(25)13-21(20)32-14-22(29)26-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,26,29)(H,27,28,30).
What are the key properties of 2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide?
2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide has a molecular weight of 494.35 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide is sourced from PubChem (CID 168552534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).