2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide

C23H19BrN4O2 — CID 55881851

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C23H19BrN4O2/c1-27(22(16-7-3-2-4-8-16)20-9-5-6-12-25-20)21(29)14-28-15-26-19-11-10-17(24)13-18(19)23(28)30/h2-13,15,22H,14H2,1H3
InChIKeyWEHVCIQMBLUGOX-UHFFFAOYSA-N
MW463.34 g/mol
LogP3.80
Rot. Bonds5

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide (PubChem CID 55881851) has the molecular formula C23H19BrN4O2 and a molecular weight of 463.34 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide
PubChem CID55881851
Molecular FormulaC23H19BrN4O2
Molecular Weight463.34 g/mol
Exact Mass462.07
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C23H19BrN4O2/c1-27(22(16-7-3-2-4-8-16)20-9-5-6-12-25-20)21(29)14-28-15-26-19-11-10-17(24)13-18(19)23(28)30/h2-13,15,22H,14H2,1H3
InChIKeyWEHVCIQMBLUGOX-UHFFFAOYSA-N
XLogP3.80
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide (CID 55881851) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide is CN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The InChIKey is WEHVCIQMBLUGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O2/c1-27(22(16-7-3-2-4-8-16)20-9-5-6-12-25-20)21(29)14-28-15-26-19-11-10-17(24)13-18(19)23(28)30/h2-13,15,22H,14H2,1H3.
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide has a molecular weight of 463.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 55881851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).