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

C25H22FN3O2 — CID 23824051

IUPAC4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCCCCc1ccc(C(=O)Nn2c(-c3ccc(F)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H22FN3O2/c1-2-3-6-17-9-11-19(12-10-17)24(30)28-29-23(18-13-15-20(26)16-14-18)27-22-8-5-4-7-21(22)25(29)31/h4-5,7-16H,2-3,6H2,1H3,(H,28,30)
InChIKeyJQYCSMODOZATSU-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.93
Rot. Bonds6

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

4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 23824051) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID23824051
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCCCCc1ccc(C(=O)Nn2c(-c3ccc(F)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H22FN3O2/c1-2-3-6-17-9-11-19(12-10-17)24(30)28-29-23(18-13-15-20(26)16-14-18)27-22-8-5-4-7-21(22)25(29)31/h4-5,7-16H,2-3,6H2,1H3,(H,28,30)
InChIKeyJQYCSMODOZATSU-UHFFFAOYSA-N
XLogP4.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of 4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide (CID 23824051) is 4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for 4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for 4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide is CCCCc1ccc(C(=O)Nn2c(-c3ccc(F)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is JQYCSMODOZATSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-2-3-6-17-9-11-19(12-10-17)24(30)28-29-23(18-13-15-20(26)16-14-18)27-22-8-5-4-7-21(22)25(29)31/h4-5,7-16H,2-3,6H2,1H3,(H,28,30).
What are the key properties of 4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide?
4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 23824051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).