3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

C23H18F2N4O2 — CID 135429193

IUPAC3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESO=C(Nc1ccccc1F)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H18F2N4O2/c24-16-11-9-15(10-12-16)13-29(23(31)27-20-8-4-2-6-18(20)25)14-21-26-19-7-3-1-5-17(19)22(30)28-21/h1-12H,13-14H2,(H,27,31)(H,26,28,30)
InChIKeyVNRJARPGZWENTM-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.44
Rot. Bonds5

About 3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (PubChem CID 135429193) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
PubChem CID135429193
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESO=C(Nc1ccccc1F)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H18F2N4O2/c24-16-11-9-15(10-12-16)13-29(23(31)27-20-8-4-2-6-18(20)25)14-21-26-19-7-3-1-5-17(19)22(30)28-21/h1-12H,13-14H2,(H,27,31)(H,26,28,30)
InChIKeyVNRJARPGZWENTM-UHFFFAOYSA-N
XLogP4.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15995771
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N-[(3-{4-[(2,5-dioxoimidazolidin-4-yl)acetyl]piperazin-1-yl}phenyl)methyl]-4-oxo-3,4-dihydroquinazoline-2-carboxamide
CID 136054498
3-benzyl-2-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3817031
Sclerotigenin
CID 10802469
4(3H)-Quinazolinone, 2-((4-methyl-1-piperazinyl)methyl)-
CID 135481900
2-[4-(4-Fluorophenyl)piperazin-1-YL]-2-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-B]quinazolin-2-YL}acetamide
CID 23602318

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The IUPAC name of 3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (CID 135429193) is 3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is O=C(Nc1ccccc1F)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The InChIKey is VNRJARPGZWENTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c24-16-11-9-15(10-12-16)13-29(23(31)27-20-8-4-2-6-18(20)25)14-21-26-19-7-3-1-5-17(19)22(30)28-21/h1-12H,13-14H2,(H,27,31)(H,26,28,30).
What are the key properties of 3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea has a molecular weight of 420.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is sourced from PubChem (CID 135429193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).