N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide

C26H20BrN5O5 — CID 46278498

IUPACN-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccc(-c2noc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccc(Br)cc4)c3=O)n2)cc1
InChIInChI=1S/C26H20BrN5O5/c1-36-19-12-6-16(7-13-19)24-29-23(37-30-24)15-32-25(34)20-4-2-3-5-21(20)31(26(32)35)14-22(33)28-18-10-8-17(27)9-11-18/h2-13H,14-15H2,1H3,(H,28,33)
InChIKeyADYCFSHNYHASMS-UHFFFAOYSA-N
MW562.38 g/mol
LogP3.67
Rot. Bonds7

About N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide

N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 46278498) has the molecular formula C26H20BrN5O5 and a molecular weight of 562.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID46278498
Molecular FormulaC26H20BrN5O5
Molecular Weight562.38 g/mol
Exact Mass561.06
IUPAC NameN-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccc(-c2noc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccc(Br)cc4)c3=O)n2)cc1
InChIInChI=1S/C26H20BrN5O5/c1-36-19-12-6-16(7-13-19)24-29-23(37-30-24)15-32-25(34)20-4-2-3-5-21(20)31(26(32)35)14-22(33)28-18-10-8-17(27)9-11-18/h2-13H,14-15H2,1H3,(H,28,33)
InChIKeyADYCFSHNYHASMS-UHFFFAOYSA-N
XLogP3.67
TPSA121.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46278499
N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 20918619
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
3-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 131703502
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 53365723
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46507732
N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15995768
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 11957189
N-(3-fluorophenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46278489
N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide
CID 126458404
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(4-bromophenyl)acetamide
CID 22429743
N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 16956541

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 46278498) is N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide is COc1ccc(-c2noc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccc(Br)cc4)c3=O)n2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is ADYCFSHNYHASMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrN5O5/c1-36-19-12-6-16(7-13-19)24-29-23(37-30-24)15-32-25(34)20-4-2-3-5-21(20)31(26(32)35)14-22(33)28-18-10-8-17(27)9-11-18/h2-13H,14-15H2,1H3,(H,28,33).
What are the key properties of N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 562.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 46278498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).