N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide

C11H10BrN3O2 — CID 86215286

IUPACN-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCC(=O)Nn1c(C)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C11H10BrN3O2/c1-6-13-10-4-3-8(12)5-9(10)11(17)15(6)14-7(2)16/h3-5H,1-2H3,(H,14,16)
InChIKeyNQYDXTSVQRMYHE-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.56
Rot. Bonds1

About N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide

N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 86215286) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID86215286
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC NameN-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCC(=O)Nn1c(C)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C11H10BrN3O2/c1-6-13-10-4-3-8(12)5-9(10)11(17)15(6)14-7(2)16/h3-5H,1-2H3,(H,14,16)
InChIKeyNQYDXTSVQRMYHE-UHFFFAOYSA-N
XLogP1.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethyl-4-oxoquinazolin-3-yl)acetamide
CID 15915184
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
1-[[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)amino]acetyl]amino]-3-[(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]thiourea
CID 171350174
N-(6-bromo-2-chloroquinazolin-4-yl)acetamide
CID 133061494
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
CID 170732444
6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125807
6-bromo-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135926154
3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one
CID 58187204
N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide
CID 15046298
2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
CID 12562121
(2S)-2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126307034
(2S)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126289490

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 86215286) is N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide is CC(=O)Nn1c(C)nc2ccc(Br)cc2c1=O.
What is the InChIKey of N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NQYDXTSVQRMYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-6-13-10-4-3-8(12)5-9(10)11(17)15(6)14-7(2)16/h3-5H,1-2H3,(H,14,16).
What are the key properties of N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 296.12 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 86215286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).