N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide

C11H8Br2N4O3 — CID 9136137

IUPACN-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide
SMILESNC(=O)NC(=O)Cn1cnc2c(Br)cc(Br)cc2c1=O
InChIInChI=1S/C11H8Br2N4O3/c12-5-1-6-9(7(13)2-5)15-4-17(10(6)19)3-8(18)16-11(14)20/h1-2,4H,3H2,(H3,14,16,18,20)
InChIKeyXFROJJKCFQWWLR-UHFFFAOYSA-N
MW404.02 g/mol
LogP1.12
Rot. Bonds2

About N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide

N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide (PubChem CID 9136137) has the molecular formula C11H8Br2N4O3 and a molecular weight of 404.02 g/mol. Its IUPAC name is N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide
PubChem CID9136137
Molecular FormulaC11H8Br2N4O3
Molecular Weight404.02 g/mol
Exact Mass401.90
IUPAC NameN-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide
SMILESNC(=O)NC(=O)Cn1cnc2c(Br)cc(Br)cc2c1=O
InChIInChI=1S/C11H8Br2N4O3/c12-5-1-6-9(7(13)2-5)15-4-17(10(6)19)3-8(18)16-11(14)20/h1-2,4H,3H2,(H3,14,16,18,20)
InChIKeyXFROJJKCFQWWLR-UHFFFAOYSA-N
XLogP1.12
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.02
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetate
CID 9136125
N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 114582909
2-(benzimidazol-1-yl)-N-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24750273
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
N-carbamoyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 116626262
N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7875306
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51264976
N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 119610209

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide (CID 9136137) is N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide is NC(=O)NC(=O)Cn1cnc2c(Br)cc(Br)cc2c1=O.
What is the InChIKey of N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is XFROJJKCFQWWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N4O3/c12-5-1-6-9(7(13)2-5)15-4-17(10(6)19)3-8(18)16-11(14)20/h1-2,4H,3H2,(H3,14,16,18,20).
What are the key properties of N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide?
N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 404.02 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 9136137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).