4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide

C15H10FN3O2 — CID 3691109

IUPAC4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
SMILESO=C(Nn1cnc2ccccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-11-7-5-10(6-8-11)14(20)18-19-9-17-13-4-2-1-3-12(13)15(19)21/h1-9H,(H,18,20)
InChIKeyZSPQNLRFPRSZOE-UHFFFAOYSA-N
MW283.26 g/mol
LogP1.92
Rot. Bonds2

About 4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide

4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 3691109) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
PubChem CID3691109
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
SMILESO=C(Nn1cnc2ccccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-11-7-5-10(6-8-11)14(20)18-19-9-17-13-4-2-1-3-12(13)15(19)21/h1-9H,(H,18,20)
InChIKeyZSPQNLRFPRSZOE-UHFFFAOYSA-N
XLogP1.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide (CID 3691109) is 4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide is O=C(Nn1cnc2ccccc2c1=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is ZSPQNLRFPRSZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-7-5-10(6-8-11)14(20)18-19-9-17-13-4-2-1-3-12(13)15(19)21/h1-9H,(H,18,20).
What are the key properties of 4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide?
4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 283.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 3691109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).