3-benzoyl-1H-quinoxalin-2-one

C15H10N2O2 — CID 663911

IUPAC3-benzoyl-1H-quinoxalin-2-one
SMILESO=C(c1ccccc1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H10N2O2/c18-14(10-6-2-1-3-7-10)13-15(19)17-12-9-5-4-8-11(12)16-13/h1-9H,(H,17,19)
InChIKeyPHHWZXKCTCLXAX-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.15
Rot. Bonds2

About 3-benzoyl-1H-quinoxalin-2-one

3-benzoyl-1H-quinoxalin-2-one (PubChem CID 663911) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-benzoyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-benzoyl-1H-quinoxalin-2-one
PubChem CID663911
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name3-benzoyl-1H-quinoxalin-2-one
SMILESO=C(c1ccccc1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H10N2O2/c18-14(10-6-2-1-3-7-10)13-15(19)17-12-9-5-4-8-11(12)16-13/h1-9H,(H,17,19)
InChIKeyPHHWZXKCTCLXAX-UHFFFAOYSA-N
XLogP2.15
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1H-quinoxalin-2-one?
The IUPAC name of 3-benzoyl-1H-quinoxalin-2-one (CID 663911) is 3-benzoyl-1H-quinoxalin-2-one.
What is the SMILES notation for 3-benzoyl-1H-quinoxalin-2-one?
The canonical SMILES for 3-benzoyl-1H-quinoxalin-2-one is O=C(c1ccccc1)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-benzoyl-1H-quinoxalin-2-one?
The InChIKey is PHHWZXKCTCLXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-14(10-6-2-1-3-7-10)13-15(19)17-12-9-5-4-8-11(12)16-13/h1-9H,(H,17,19).
What are the key properties of 3-benzoyl-1H-quinoxalin-2-one?
3-benzoyl-1H-quinoxalin-2-one has a molecular weight of 250.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1H-quinoxalin-2-one is sourced from PubChem (CID 663911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).