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

C16H10BrClFN3O2 — CID 3311632

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H10BrClFN3O2/c17-9-1-4-14-11(5-9)16(24)22(8-20-14)7-15(23)21-10-2-3-13(19)12(18)6-10/h1-6,8H,7H2,(H,21,23)
InChIKeySQQHNDSQNUTTCV-UHFFFAOYSA-N
MW410.63 g/mol
LogP3.59
Rot. Bonds3

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

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 3311632) has the molecular formula C16H10BrClFN3O2 and a molecular weight of 410.63 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID3311632
Molecular FormulaC16H10BrClFN3O2
Molecular Weight410.63 g/mol
Exact Mass408.96
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H10BrClFN3O2/c17-9-1-4-14-11(5-9)16(24)22(8-20-14)7-15(23)21-10-2-3-13(19)12(18)6-10/h1-6,8H,7H2,(H,21,23)
InChIKeySQQHNDSQNUTTCV-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 26675731
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 17492289
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7488140
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46586085
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 8005577

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide (CID 3311632) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is SQQHNDSQNUTTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClFN3O2/c17-9-1-4-14-11(5-9)16(24)22(8-20-14)7-15(23)21-10-2-3-13(19)12(18)6-10/h1-6,8H,7H2,(H,21,23).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 410.63 g/mol, XLogP of 3.59, 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-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 3311632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).