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

C16H10BrF2N3O2 — CID 7488154

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H10BrF2N3O2/c17-9-1-3-13-11(5-9)16(24)22(8-20-13)7-15(23)21-14-4-2-10(18)6-12(14)19/h1-6,8H,7H2,(H,21,23)
InChIKeyGSKKHVDGUIFSGO-UHFFFAOYSA-N
MW394.18 g/mol
LogP3.08
Rot. Bonds3

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

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide (PubChem CID 7488154) has the molecular formula C16H10BrF2N3O2 and a molecular weight of 394.18 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
PubChem CID7488154
Molecular FormulaC16H10BrF2N3O2
Molecular Weight394.18 g/mol
Exact Mass392.99
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H10BrF2N3O2/c17-9-1-3-13-11(5-9)16(24)22(8-20-13)7-15(23)21-14-4-2-10(18)6-12(14)19/h1-6,8H,7H2,(H,21,23)
InChIKeyGSKKHVDGUIFSGO-UHFFFAOYSA-N
XLogP3.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 17492289
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
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-(2,4,6-trichlorophenyl)acetamide
CID 55379284
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46586085
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24570662
N-(4-bromo-2-fluorophenyl)-2-(2-methylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 46290304
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide (CID 7488154) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is GSKKHVDGUIFSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2N3O2/c17-9-1-3-13-11(5-9)16(24)22(8-20-13)7-15(23)21-14-4-2-10(18)6-12(14)19/h1-6,8H,7H2,(H,21,23).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 394.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 7488154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).