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

C17H13BrFN3O2 — CID 46586085

IUPACN-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)ccc1Br
InChIInChI=1S/C17H13BrFN3O2/c1-10-6-12(3-4-14(10)18)21-16(23)8-22-9-20-15-5-2-11(19)7-13(15)17(22)24/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeyCOUVQVRYUYFJIR-UHFFFAOYSA-N
MW390.21 g/mol
LogP3.25
Rot. Bonds3

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

N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 46586085) has the molecular formula C17H13BrFN3O2 and a molecular weight of 390.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID46586085
Molecular FormulaC17H13BrFN3O2
Molecular Weight390.21 g/mol
Exact Mass389.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)ccc1Br
InChIInChI=1S/C17H13BrFN3O2/c1-10-6-12(3-4-14(10)18)21-16(23)8-22-9-20-15-5-2-11(19)7-13(15)17(22)24/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeyCOUVQVRYUYFJIR-UHFFFAOYSA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46581458
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 55712280
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 46586085) is N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is Cc1cc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is COUVQVRYUYFJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O2/c1-10-6-12(3-4-14(10)18)21-16(23)8-22-9-20-15-5-2-11(19)7-13(15)17(22)24/h2-7,9H,8H2,1H3,(H,21,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 390.21 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 46586085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).