2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide

C23H18ClN3O2 — CID 15994559

IUPAC2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H18ClN3O2/c1-15-7-6-8-16(13-15)25-21(28)14-27-22(17-9-2-4-11-19(17)24)26-20-12-5-3-10-18(20)23(27)29/h2-13H,14H2,1H3,(H,25,28)
InChIKeyQVIYPISJKJVMPH-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.66
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide

2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide (PubChem CID 15994559) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide
PubChem CID15994559
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H18ClN3O2/c1-15-7-6-8-16(13-15)25-21(28)14-27-22(17-9-2-4-11-19(17)24)26-20-12-5-3-10-18(20)23(27)29/h2-13H,14H2,1H3,(H,25,28)
InChIKeyQVIYPISJKJVMPH-UHFFFAOYSA-N
XLogP4.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide (CID 15994559) is 2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is QVIYPISJKJVMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-15-7-6-8-16(13-15)25-21(28)14-27-22(17-9-2-4-11-19(17)24)26-20-12-5-3-10-18(20)23(27)29/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide?
2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 403.87 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 15994559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).