2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide

C23H18BrN3O3 — CID 6737712

IUPAC2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nn2c(-c3cccc(C)c3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H18BrN3O3/c1-14-6-5-7-15(12-14)21-25-20-9-4-3-8-17(20)23(29)27(21)26-22(28)18-13-16(30-2)10-11-19(18)24/h3-13H,1-2H3,(H,26,28)
InChIKeyWZVWKTYHUXCZNY-UHFFFAOYSA-N
MW464.32 g/mol
LogP4.53
Rot. Bonds4

About 2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide

2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 6737712) has the molecular formula C23H18BrN3O3 and a molecular weight of 464.32 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID6737712
Molecular FormulaC23H18BrN3O3
Molecular Weight464.32 g/mol
Exact Mass463.05
IUPAC Name2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nn2c(-c3cccc(C)c3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H18BrN3O3/c1-14-6-5-7-15(12-14)21-25-20-9-4-3-8-17(20)23(29)27(21)26-22(28)18-13-16(30-2)10-11-19(18)24/h3-13H,1-2H3,(H,26,28)
InChIKeyWZVWKTYHUXCZNY-UHFFFAOYSA-N
XLogP4.53
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23994102
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
CID 23907241
N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide
CID 23989138
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23881942
N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
CID 23905907
4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23851582
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide
CID 23877246
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
CID 23847600
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
CID 170732444
2-chloro-N-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]pyridine-3-carboxamide
CID 6737770

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide (CID 6737712) is 2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide is COc1ccc(Br)c(C(=O)Nn2c(-c3cccc(C)c3)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is WZVWKTYHUXCZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O3/c1-14-6-5-7-15(12-14)21-25-20-9-4-3-8-17(20)23(29)27(21)26-22(28)18-13-16(30-2)10-11-19(18)24/h3-13H,1-2H3,(H,26,28).
What are the key properties of 2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide?
2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 464.32 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 6737712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).