3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

C22H16BrN3O2 — CID 43988551

IUPAC3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C22H16BrN3O2/c1-14-24-20-8-3-2-7-19(20)22(28)26(14)18-11-9-17(10-12-18)25-21(27)15-5-4-6-16(23)13-15/h2-13H,1H3,(H,25,27)
InChIKeyABQMEFLFWYXZNQ-UHFFFAOYSA-N
MW434.29 g/mol
LogP4.71
Rot. Bonds3

About 3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (PubChem CID 43988551) has the molecular formula C22H16BrN3O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is 3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
PubChem CID43988551
Molecular FormulaC22H16BrN3O2
Molecular Weight434.29 g/mol
Exact Mass433.04
IUPAC Name3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C22H16BrN3O2/c1-14-24-20-8-3-2-7-19(20)22(28)26(14)18-11-9-17(10-12-18)25-21(27)15-5-4-6-16(23)13-15/h2-13H,1H3,(H,25,27)
InChIKeyABQMEFLFWYXZNQ-UHFFFAOYSA-N
XLogP4.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 7294959
3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 16830173
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-nitrobenzamide
CID 7294909

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (CID 43988551) is 3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The InChIKey is ABQMEFLFWYXZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O2/c1-14-24-20-8-3-2-7-19(20)22(28)26(14)18-11-9-17(10-12-18)25-21(27)15-5-4-6-16(23)13-15/h2-13H,1H3,(H,25,27).
What are the key properties of 3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide has a molecular weight of 434.29 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is sourced from PubChem (CID 43988551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).