N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide

C21H14FN3O2 — CID 23932693

IUPACN-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESO=C(Nn1c(-c2ccc(F)cc2)nc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C21H14FN3O2/c22-16-12-10-14(11-13-16)19-23-18-9-5-4-8-17(18)21(27)25(19)24-20(26)15-6-2-1-3-7-15/h1-13H,(H,24,26)
InChIKeyZCRDBZMMVWUUIB-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.59
Rot. Bonds3

About N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide

N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 23932693) has the molecular formula C21H14FN3O2 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID23932693
Molecular FormulaC21H14FN3O2
Molecular Weight359.36 g/mol
Exact Mass359.11
IUPAC NameN-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESO=C(Nn1c(-c2ccc(F)cc2)nc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C21H14FN3O2/c22-16-12-10-14(11-13-16)19-23-18-9-5-4-8-17(18)21(27)25(19)24-20(26)15-6-2-1-3-7-15/h1-13H,(H,24,26)
InChIKeyZCRDBZMMVWUUIB-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide (CID 23932693) is N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide is O=C(Nn1c(-c2ccc(F)cc2)nc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is ZCRDBZMMVWUUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2/c22-16-12-10-14(11-13-16)19-23-18-9-5-4-8-17(18)21(27)25(19)24-20(26)15-6-2-1-3-7-15/h1-13H,(H,24,26).
What are the key properties of N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 359.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 23932693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).