6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione

C22H16BrClN2O2 — CID 17190267

IUPAC6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1cccc(Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cc(Br)ccc32)c1
InChIInChI=1S/C22H16BrClN2O2/c1-14-4-2-5-15(10-14)13-25-20-9-8-16(23)11-19(20)21(27)26(22(25)28)18-7-3-6-17(24)12-18/h2-12H,13H2,1H3
InChIKeyUPKAWQTZNRQHMM-UHFFFAOYSA-N
MW455.74 g/mol
LogP4.93
Rot. Bonds3

About 6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione

6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione (PubChem CID 17190267) has the molecular formula C22H16BrClN2O2 and a molecular weight of 455.74 g/mol. Its IUPAC name is 6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
PubChem CID17190267
Molecular FormulaC22H16BrClN2O2
Molecular Weight455.74 g/mol
Exact Mass454.01
IUPAC Name6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
SMILESCc1cccc(Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cc(Br)ccc32)c1
InChIInChI=1S/C22H16BrClN2O2/c1-14-4-2-5-15(10-14)13-25-20-9-8-16(23)11-19(20)21(27)26(22(25)28)18-7-3-6-17(24)12-18/h2-12H,13H2,1H3
InChIKeyUPKAWQTZNRQHMM-UHFFFAOYSA-N
XLogP4.93
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.74
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921
3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 95922194
2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 17190284
1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione
CID 17172499
6-bromo-3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione
CID 66502730
1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 15989209
1-[(4-chlorophenyl)methyl]-5,8-dimethyl-3-(3-methylphenyl)pyrimido[5,4-b]indole-2,4-dione
CID 16811560
1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331547
6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17197912
3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
CID 17147919
3-(3-chlorophenyl)-1-[(4-ethenylphenyl)methyl]-5,8-dimethylpyrimido[5,4-b]indole-2,4-dione
CID 20914426
3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17159912

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione (CID 17190267) is 6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione is Cc1cccc(Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cc(Br)ccc32)c1.
What is the InChIKey of 6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione?
The InChIKey is UPKAWQTZNRQHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrClN2O2/c1-14-4-2-5-15(10-14)13-25-20-9-8-16(23)11-19(20)21(27)26(22(25)28)18-7-3-6-17(24)12-18/h2-12H,13H2,1H3.
What are the key properties of 6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione?
6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione has a molecular weight of 455.74 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 17190267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).