1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea

C23H19FN4O2 — CID 18585012

IUPAC1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea
SMILESO=C(NCc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2/c24-18-12-10-17(11-13-18)15-28-21(19-8-4-5-9-20(19)26-23(28)30)27-22(29)25-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H2,25,27,29)
InChIKeyJYTVMNSNWIGWQB-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.91
Rot. Bonds5

About 1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea

1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea (PubChem CID 18585012) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea
PubChem CID18585012
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea
SMILESO=C(NCc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2/c24-18-12-10-17(11-13-18)15-28-21(19-8-4-5-9-20(19)26-23(28)30)27-22(29)25-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H2,25,27,29)
InChIKeyJYTVMNSNWIGWQB-UHFFFAOYSA-N
XLogP3.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea?
The IUPAC name of 1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea (CID 18585012) is 1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea.
What is the SMILES notation for 1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea?
The canonical SMILES for 1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea is O=C(NCc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea?
The InChIKey is JYTVMNSNWIGWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-18-12-10-17(11-13-18)15-28-21(19-8-4-5-9-20(19)26-23(28)30)27-22(29)25-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H2,25,27,29).
What are the key properties of 1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea?
1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea has a molecular weight of 402.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea is sourced from PubChem (CID 18585012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).