6-benzoyl-1H-quinazoline-2,4-dione

C15H10N2O3 — CID 19816015

IUPAC6-benzoyl-1H-quinazoline-2,4-dione
SMILESO=C(c1ccccc1)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C15H10N2O3/c18-13(9-4-2-1-3-5-9)10-6-7-12-11(8-10)14(19)17-15(20)16-12/h1-8H,(H2,16,17,19,20)
InChIKeyXQKMSIODTRXNTD-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.45
Rot. Bonds2

About 6-benzoyl-1H-quinazoline-2,4-dione

6-benzoyl-1H-quinazoline-2,4-dione (PubChem CID 19816015) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 6-benzoyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-benzoyl-1H-quinazoline-2,4-dione
PubChem CID19816015
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name6-benzoyl-1H-quinazoline-2,4-dione
SMILESO=C(c1ccccc1)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C15H10N2O3/c18-13(9-4-2-1-3-5-9)10-6-7-12-11(8-10)14(19)17-15(20)16-12/h1-8H,(H2,16,17,19,20)
InChIKeyXQKMSIODTRXNTD-UHFFFAOYSA-N
XLogP1.45
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-benzoyl-1H-quinazoline-2,4-dione (CID 19816015) is 6-benzoyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-benzoyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-benzoyl-1H-quinazoline-2,4-dione is O=C(c1ccccc1)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 6-benzoyl-1H-quinazoline-2,4-dione?
The InChIKey is XQKMSIODTRXNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-13(9-4-2-1-3-5-9)10-6-7-12-11(8-10)14(19)17-15(20)16-12/h1-8H,(H2,16,17,19,20).
What are the key properties of 6-benzoyl-1H-quinazoline-2,4-dione?
6-benzoyl-1H-quinazoline-2,4-dione has a molecular weight of 266.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 19816015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).