N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C18H16BrN3O2 — CID 2608748

IUPACN-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(C)nc3ccccc3c2=O)ccc1Br
InChIInChI=1S/C18H16BrN3O2/c1-11-9-13(7-8-15(11)19)21-17(23)10-22-12(2)20-16-6-4-3-5-14(16)18(22)24/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyMUYJOGYYBHYNFH-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.41
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 2608748) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID2608748
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(C)nc3ccccc3c2=O)ccc1Br
InChIInChI=1S/C18H16BrN3O2/c1-11-9-13(7-8-15(11)19)21-17(23)10-22-12(2)20-16-6-4-3-5-14(16)18(22)24/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyMUYJOGYYBHYNFH-UHFFFAOYSA-N
XLogP3.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 2608748) is N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cc(NC(=O)Cn2c(C)nc3ccccc3c2=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is MUYJOGYYBHYNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-11-9-13(7-8-15(11)19)21-17(23)10-22-12(2)20-16-6-4-3-5-14(16)18(22)24/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 386.25 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2608748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).