N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide

C22H16BrN3O2 — CID 23877246

IUPACN-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O
InChIInChI=1S/C22H16BrN3O2/c1-14-6-2-3-7-17(14)21(27)25-26-20(15-10-12-16(23)13-11-15)24-19-9-5-4-8-18(19)22(26)28/h2-13H,1H3,(H,25,27)
InChIKeyYAVUZGDMSXFGBG-UHFFFAOYSA-N
MW434.29 g/mol
LogP4.52
Rot. Bonds3

About N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide

N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide (PubChem CID 23877246) has the molecular formula C22H16BrN3O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide
PubChem CID23877246
Molecular FormulaC22H16BrN3O2
Molecular Weight434.29 g/mol
Exact Mass433.04
IUPAC NameN-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O
InChIInChI=1S/C22H16BrN3O2/c1-14-6-2-3-7-17(14)21(27)25-26-20(15-10-12-16(23)13-11-15)24-19-9-5-4-8-18(19)22(26)28/h2-13H,1H3,(H,25,27)
InChIKeyYAVUZGDMSXFGBG-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(4-tert-butylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23968802
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 23995928
4-[(4-bromophenyl)carbamothioylamino]-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide
CID 10437995
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
CID 23847600
2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 4778135
3-[(4-bromophenyl)methylamino]-2-(4-hydroxyphenyl)quinazolin-4-one
CID 135871074
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23909571
2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737712
2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23994102
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide?
The IUPAC name of N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide (CID 23877246) is N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide?
The InChIKey is YAVUZGDMSXFGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O2/c1-14-6-2-3-7-17(14)21(27)25-26-20(15-10-12-16(23)13-11-15)24-19-9-5-4-8-18(19)22(26)28/h2-13H,1H3,(H,25,27).
What are the key properties of N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide?
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide has a molecular weight of 434.29 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 23877246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).