2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide

C12H12BrN3O2 — CID 78961217

IUPAC2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc2cc(Br)ccc2c1=O
InChIInChI=1S/C12H12BrN3O2/c1-15(2)11(17)6-16-7-14-10-5-8(13)3-4-9(10)12(16)18/h3-5,7H,6H2,1-2H3
InChIKeyUHDOQJVWYRIZFW-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.25
Rot. Bonds2

About 2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide

2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide (PubChem CID 78961217) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
PubChem CID78961217
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc2cc(Br)ccc2c1=O
InChIInChI=1S/C12H12BrN3O2/c1-15(2)11(17)6-16-7-14-10-5-8(13)3-4-9(10)12(16)18/h3-5,7H,6H2,1-2H3
InChIKeyUHDOQJVWYRIZFW-UHFFFAOYSA-N
XLogP1.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide
CID 78961116
2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 78961298
2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 39934425
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
CID 78961186
7-bromo-3-(2-tert-butylsulfonylethyl)quinazolin-4-one
CID 103710587
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
CID 51331711
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 55719138
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 27248645
2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-cyclopropylamino]propanoic acid
CID 122067087
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide
CID 55571699
7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663
3-benzyl-7-bromoquinazolin-4-one
CID 23158166

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide (CID 78961217) is 2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1cnc2cc(Br)ccc2c1=O.
What is the InChIKey of 2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide?
The InChIKey is UHDOQJVWYRIZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-15(2)11(17)6-16-7-14-10-5-8(13)3-4-9(10)12(16)18/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide?
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide has a molecular weight of 310.15 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 78961217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).