2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide

C17H10BrClN4O2 — CID 17492289

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C17H10BrClN4O2/c18-11-2-4-14-13(5-11)17(25)23(9-21-14)8-16(24)22-15-6-12(19)3-1-10(15)7-20/h1-6,9H,8H2,(H,22,24)
InChIKeyRMIFTGNPSUDICZ-UHFFFAOYSA-N
MW417.65 g/mol
LogP3.32
Rot. Bonds3

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide (PubChem CID 17492289) has the molecular formula C17H10BrClN4O2 and a molecular weight of 417.65 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
PubChem CID17492289
Molecular FormulaC17H10BrClN4O2
Molecular Weight417.65 g/mol
Exact Mass415.97
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C17H10BrClN4O2/c18-11-2-4-14-13(5-11)17(25)23(9-21-14)8-16(24)22-15-6-12(19)3-1-10(15)7-20/h1-6,9H,8H2,(H,22,24)
InChIKeyRMIFTGNPSUDICZ-UHFFFAOYSA-N
XLogP3.32
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.65
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2,4,6-trichlorophenyl)acetamide
CID 55379284
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24570662
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
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
N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227403

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide (CID 17492289) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide is N#Cc1ccc(Cl)cc1NC(=O)Cn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide?
The InChIKey is RMIFTGNPSUDICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClN4O2/c18-11-2-4-14-13(5-11)17(25)23(9-21-14)8-16(24)22-15-6-12(19)3-1-10(15)7-20/h1-6,9H,8H2,(H,22,24).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide has a molecular weight of 417.65 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide is sourced from PubChem (CID 17492289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).