2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide

C19H17BrN4O3 — CID 55760929

IUPAC2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C19H17BrN4O3/c1-21-17(25)8-12-4-2-3-5-15(12)23-18(26)10-24-11-22-16-7-6-13(20)9-14(16)19(24)27/h2-7,9,11H,8,10H2,1H3,(H,21,25)(H,23,26)
InChIKeyJOASZDXMLBDRHM-UHFFFAOYSA-N
MW429.27 g/mol
LogP2.09
Rot. Bonds5

About 2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide

2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide (PubChem CID 55760929) has the molecular formula C19H17BrN4O3 and a molecular weight of 429.27 g/mol. Its IUPAC name is 2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
PubChem CID55760929
Molecular FormulaC19H17BrN4O3
Molecular Weight429.27 g/mol
Exact Mass428.05
IUPAC Name2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C19H17BrN4O3/c1-21-17(25)8-12-4-2-3-5-15(12)23-18(26)10-24-11-22-16-7-6-13(20)9-14(16)19(24)27/h2-7,9,11H,8,10H2,1H3,(H,21,25)(H,23,26)
InChIKeyJOASZDXMLBDRHM-UHFFFAOYSA-N
XLogP2.09
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 30763561
N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 30288435
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 27248647
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7488437
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55718262
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 26675731
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide (CID 55760929) is 2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NC(=O)Cn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide?
The InChIKey is JOASZDXMLBDRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3/c1-21-17(25)8-12-4-2-3-5-15(12)23-18(26)10-24-11-22-16-7-6-13(20)9-14(16)19(24)27/h2-7,9,11H,8,10H2,1H3,(H,21,25)(H,23,26).
What are the key properties of 2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide?
2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide has a molecular weight of 429.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 55760929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).