2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

C21H18BrN5O2 — CID 38916521

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C21H18BrN5O2/c1-13-3-6-16(7-4-13)27-19(9-14(2)25-27)24-20(28)11-26-12-23-18-8-5-15(22)10-17(18)21(26)29/h3-10,12H,11H2,1-2H3,(H,24,28)
InChIKeyOXPWHZBBSJZNBC-UHFFFAOYSA-N
MW452.31 g/mol
LogP3.60
Rot. Bonds4

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 38916521) has the molecular formula C21H18BrN5O2 and a molecular weight of 452.31 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID38916521
Molecular FormulaC21H18BrN5O2
Molecular Weight452.31 g/mol
Exact Mass451.06
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C21H18BrN5O2/c1-13-3-6-16(7-4-13)27-19(9-14(2)25-27)24-20(28)11-26-12-23-18-8-5-15(22)10-17(18)21(26)29/h3-10,12H,11H2,1-2H3,(H,24,28)
InChIKeyOXPWHZBBSJZNBC-UHFFFAOYSA-N
XLogP3.60
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 43058477
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799689
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51286491
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55718262
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 18279717
N-(4-bromophenyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16798453
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7488393

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (CID 38916521) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is Cc1ccc(-n2nc(C)cc2NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is OXPWHZBBSJZNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN5O2/c1-13-3-6-16(7-4-13)27-19(9-14(2)25-27)24-20(28)11-26-12-23-18-8-5-15(22)10-17(18)21(26)29/h3-10,12H,11H2,1-2H3,(H,24,28).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 452.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 38916521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).