2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide

C23H19N3O2 — CID 15991812

IUPAC2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C23H19N3O2/c27-22(24-15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)26-16-25-20-12-6-4-10-18(20)23(26)28/h1-13,16H,14-15H2,(H,24,27)
InChIKeyCQJXEMLWLBOOFN-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.36
Rot. Bonds5

About 2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide

2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide (PubChem CID 15991812) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide
PubChem CID15991812
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C23H19N3O2/c27-22(24-15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)26-16-25-20-12-6-4-10-18(20)23(26)28/h1-13,16H,14-15H2,(H,24,27)
InChIKeyCQJXEMLWLBOOFN-UHFFFAOYSA-N
XLogP3.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide (CID 15991812) is 2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccccc1-n1cnc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is CQJXEMLWLBOOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-22(24-15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)26-16-25-20-12-6-4-10-18(20)23(26)28/h1-13,16H,14-15H2,(H,24,27).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide?
2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 369.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 15991812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).