2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide

C19H17BrN4O3 — CID 27248647

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
SMILESCc1cccc(NC(=O)NC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1C
InChIInChI=1S/C19H17BrN4O3/c1-11-4-3-5-15(12(11)2)22-19(27)23-17(25)9-24-10-21-16-7-6-13(20)8-14(16)18(24)26/h3-8,10H,9H2,1-2H3,(H2,22,23,25,27)
InChIKeyKCXVWFASYKACJO-UHFFFAOYSA-N
MW429.27 g/mol
LogP3.12
Rot. Bonds3

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide (PubChem CID 27248647) has the molecular formula C19H17BrN4O3 and a molecular weight of 429.27 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
PubChem CID27248647
Molecular FormulaC19H17BrN4O3
Molecular Weight429.27 g/mol
Exact Mass428.05
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
SMILESCc1cccc(NC(=O)NC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1C
InChIInChI=1S/C19H17BrN4O3/c1-11-4-3-5-15(12(11)2)22-19(27)23-17(25)9-24-10-21-16-7-6-13(20)8-14(16)18(24)26/h3-8,10H,9H2,1-2H3,(H2,22,23,25,27)
InChIKeyKCXVWFASYKACJO-UHFFFAOYSA-N
XLogP3.12
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
CID 55760929
N-(2-benzylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 30763561
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 40584529
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
6-bromo-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 7488391

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide (CID 27248647) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide is Cc1cccc(NC(=O)NC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1C.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide?
The InChIKey is KCXVWFASYKACJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3/c1-11-4-3-5-15(12(11)2)22-19(27)23-17(25)9-24-10-21-16-7-6-13(20)8-14(16)18(24)26/h3-8,10H,9H2,1-2H3,(H2,22,23,25,27).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide has a molecular weight of 429.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 27248647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).