2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one

C14H8Br2N2O2 — CID 135579414

IUPAC2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Br)cc(Br)c2O)nc2ccccc12
InChIInChI=1S/C14H8Br2N2O2/c15-7-5-9(12(19)10(16)6-7)13-17-11-4-2-1-3-8(11)14(20)18-13/h1-6,19H,(H,17,18,20)
InChIKeyUZFLRKAIHSICRL-UHFFFAOYSA-N
MW396.04 g/mol
LogP3.82
Rot. Bonds1

About 2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one

2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one (PubChem CID 135579414) has the molecular formula C14H8Br2N2O2 and a molecular weight of 396.04 g/mol. Its IUPAC name is 2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
PubChem CID135579414
Molecular FormulaC14H8Br2N2O2
Molecular Weight396.04 g/mol
Exact Mass393.90
IUPAC Name2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Br)cc(Br)c2O)nc2ccccc12
InChIInChI=1S/C14H8Br2N2O2/c15-7-5-9(12(19)10(16)6-7)13-17-11-4-2-1-3-8(11)14(20)18-13/h1-6,19H,(H,17,18,20)
InChIKeyUZFLRKAIHSICRL-UHFFFAOYSA-N
XLogP3.82
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.04
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-2-hydroxy-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552884
2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one
CID 168552568
2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551472
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 168551501
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551469
2-(4-bromo-2-piperidin-1-ylphenyl)-3H-quinazolin-4-one
CID 168553125
S-[5-bromo-2-(4-oxo-3H-quinazolin-2-yl)phenyl] N,N-dimethylcarbamothioate
CID 168552696
2-(5-bromo-3-iodo-2-prop-2-enoxyphenyl)-3H-quinazolin-4-one
CID 168552575

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one (CID 135579414) is 2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(Br)cc(Br)c2O)nc2ccccc12.
What is the InChIKey of 2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one?
The InChIKey is UZFLRKAIHSICRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O2/c15-7-5-9(12(19)10(16)6-7)13-17-11-4-2-1-3-8(11)14(20)18-13/h1-6,19H,(H,17,18,20).
What are the key properties of 2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one?
2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one has a molecular weight of 396.04 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135579414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).