2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide

C23H17BrClN3O3 — CID 17190284

IUPAC2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2cc(Br)ccc21
InChIInChI=1S/C23H17BrClN3O3/c1-14-5-2-3-8-19(14)26-21(29)13-27-20-10-9-15(24)11-18(20)22(30)28(23(27)31)17-7-4-6-16(25)12-17/h2-12H,13H2,1H3,(H,26,29)
InChIKeyYJYSCOBWZMBDPV-UHFFFAOYSA-N
MW498.76 g/mol
LogP4.52
Rot. Bonds4

About 2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide

2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 17190284) has the molecular formula C23H17BrClN3O3 and a molecular weight of 498.76 g/mol. Its IUPAC name is 2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID17190284
Molecular FormulaC23H17BrClN3O3
Molecular Weight498.76 g/mol
Exact Mass497.01
IUPAC Name2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2cc(Br)ccc21
InChIInChI=1S/C23H17BrClN3O3/c1-14-5-2-3-8-19(14)26-21(29)13-27-20-10-9-15(24)11-18(20)22(30)28(23(27)31)17-7-4-6-16(25)12-17/h2-12H,13H2,1H3,(H,26,29)
InChIKeyYJYSCOBWZMBDPV-UHFFFAOYSA-N
XLogP4.52
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.76
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
2-[3-(3-chlorophenyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 17197944
6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 17190267
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114
2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93301719
2-[3-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 46925353
2-[3-(3-chlorophenyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17197939
2-[4-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 27422032
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46857122
6-bromo-3-(4-chlorophenyl)-1-[2-(furan-2-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17197912
methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
CID 15994277
N-(2,3-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923955

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide (CID 17190284) is 2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2cc(Br)ccc21.
What is the InChIKey of 2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is YJYSCOBWZMBDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrClN3O3/c1-14-5-2-3-8-19(14)26-21(29)13-27-20-10-9-15(24)11-18(20)22(30)28(23(27)31)17-7-4-6-16(25)12-17/h2-12H,13H2,1H3,(H,26,29).
What are the key properties of 2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide?
2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 498.76 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 17190284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).