3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide

C23H18BrN3O2 — CID 46580979

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18BrN3O2/c24-18-8-11-21-20(14-18)23(29)27(15-25-21)13-12-22(28)26-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-11,14-15H,12-13H2,(H,26,28)
InChIKeyWWSRTUWVBQCPSG-UHFFFAOYSA-N
MW448.32 g/mol
LogP4.85
Rot. Bonds5

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide (PubChem CID 46580979) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
PubChem CID46580979
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18BrN3O2/c24-18-8-11-21-20(14-18)23(29)27(15-25-21)13-12-22(28)26-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-11,14-15H,12-13H2,(H,26,28)
InChIKeyWWSRTUWVBQCPSG-UHFFFAOYSA-N
XLogP4.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
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N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 31158415
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
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3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 24589483
N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 30288435
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 26675731
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 30884886
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide
CID 55675001
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylphenyl)propanamide
CID 31150939

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide (CID 46580979) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide is O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide?
The InChIKey is WWSRTUWVBQCPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c24-18-8-11-21-20(14-18)23(29)27(15-25-21)13-12-22(28)26-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-11,14-15H,12-13H2,(H,26,28).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide has a molecular weight of 448.32 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide is sourced from PubChem (CID 46580979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).