7-methyl-3-phenyl-1H-quinazoline-2,4-dione

C15H12N2O2 — CID 58641861

IUPAC7-methyl-3-phenyl-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C15H12N2O2/c1-10-7-8-12-13(9-10)16-15(19)17(14(12)18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,19)
InChIKeyDONBAZWSCQBQRE-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.99
Rot. Bonds1

About 7-methyl-3-phenyl-1H-quinazoline-2,4-dione

7-methyl-3-phenyl-1H-quinazoline-2,4-dione (PubChem CID 58641861) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 7-methyl-3-phenyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-methyl-3-phenyl-1H-quinazoline-2,4-dione
PubChem CID58641861
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name7-methyl-3-phenyl-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C15H12N2O2/c1-10-7-8-12-13(9-10)16-15(19)17(14(12)18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,19)
InChIKeyDONBAZWSCQBQRE-UHFFFAOYSA-N
XLogP1.99
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenyl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-methyl-3-phenyl-1H-quinazoline-2,4-dione (CID 58641861) is 7-methyl-3-phenyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-methyl-3-phenyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-methyl-3-phenyl-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-phenyl-1H-quinazoline-2,4-dione?
The InChIKey is DONBAZWSCQBQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-7-8-12-13(9-10)16-15(19)17(14(12)18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,19).
What are the key properties of 7-methyl-3-phenyl-1H-quinazoline-2,4-dione?
7-methyl-3-phenyl-1H-quinazoline-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 58641861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).