6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione

C15H11BrN2O2 — CID 718439

IUPAC6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
SMILESCc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C15H11BrN2O2/c1-9-2-5-11(6-3-9)18-14(19)12-8-10(16)4-7-13(12)17-15(18)20/h2-8H,1H3,(H,17,20)
InChIKeyVOURGVNKJLLPBE-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.75
Rot. Bonds1

About 6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione

6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione (PubChem CID 718439) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
PubChem CID718439
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
SMILESCc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C15H11BrN2O2/c1-9-2-5-11(6-3-9)18-14(19)12-8-10(16)4-7-13(12)17-15(18)20/h2-8H,1H3,(H,17,20)
InChIKeyVOURGVNKJLLPBE-UHFFFAOYSA-N
XLogP2.75
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
2-(4-Bromo-phenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 3117357
3-Phenylquinazoline-2,4-dione
CID 242637
2,2-Dimethyl-1,2,3-trihydroquinazolin-4-one
CID 595161
3-(4-Bromophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
CID 767296
3-benzyl-6-bromo-2-mercapto-4(3H)-quinazolinone
CID 2981158
6-Bromo-2,4(1H,3H)-quinazolinedione
CID 617686
2-(4-Bromophenyl)-3-(2-diethylaminoethyl)-1,2-dihydroquinazolin-4-one
CID 2888798
3-(2-bromophenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 11427575
2-[4-(Diethylamino)phenyl]-2,3-dihydro-4(1H)-quinazolinone
CID 300574
4-methyl-3'-phenyl-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
CID 702290
2-(4-Bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 2887932

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione (CID 718439) is 6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione is Cc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1.
What is the InChIKey of 6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
The InChIKey is VOURGVNKJLLPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-9-2-5-11(6-3-9)18-14(19)12-8-10(16)4-7-13(12)17-15(18)20/h2-8H,1H3,(H,17,20).
What are the key properties of 6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione?
6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione has a molecular weight of 331.17 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 718439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).