2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid

C16H10Br2N2O4 — CID 168553022

IUPAC2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1c(Br)cc(-c2nc3ccccc3c(=O)[nH]2)cc1Br
InChIInChI=1S/C16H10Br2N2O4/c17-10-5-8(6-11(18)14(10)24-7-13(21)22)15-19-12-4-2-1-3-9(12)16(23)20-15/h1-6H,7H2,(H,21,22)(H,19,20,23)
InChIKeyOEKUZPCVIJBMCV-UHFFFAOYSA-N
MW454.07 g/mol
LogP3.58
Rot. Bonds4

About 2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid

2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid (PubChem CID 168553022) has the molecular formula C16H10Br2N2O4 and a molecular weight of 454.07 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
PubChem CID168553022
Molecular FormulaC16H10Br2N2O4
Molecular Weight454.07 g/mol
Exact Mass451.90
IUPAC Name2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1c(Br)cc(-c2nc3ccccc3c(=O)[nH]2)cc1Br
InChIInChI=1S/C16H10Br2N2O4/c17-10-5-8(6-11(18)14(10)24-7-13(21)22)15-19-12-4-2-1-3-9(12)16(23)20-15/h1-6H,7H2,(H,21,22)(H,19,20,23)
InChIKeyOEKUZPCVIJBMCV-UHFFFAOYSA-N
XLogP3.58
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.07
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-6-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 135402375
2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 168552022
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
CID 168551010
2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid
CID 168551369
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one
CID 168552568
N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168551679
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 135579414
2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide
CID 168555021

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid (CID 168553022) is 2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid is O=C(O)COc1c(Br)cc(-c2nc3ccccc3c(=O)[nH]2)cc1Br.
What is the InChIKey of 2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid?
The InChIKey is OEKUZPCVIJBMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O4/c17-10-5-8(6-11(18)14(10)24-7-13(21)22)15-19-12-4-2-1-3-9(12)16(23)20-15/h1-6H,7H2,(H,21,22)(H,19,20,23).
What are the key properties of 2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid?
2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid has a molecular weight of 454.07 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 168553022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).