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

C23H19FN4O2 — CID 135429162

IUPAC1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H19FN4O2/c24-17-12-10-16(11-13-17)14-28(23(30)25-18-6-2-1-3-7-18)15-21-26-20-9-5-4-8-19(20)22(29)27-21/h1-13H,14-15H2,(H,25,30)(H,26,27,29)
InChIKeyUOJXEBIIPUBENY-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.30
Rot. Bonds5

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

1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea (PubChem CID 135429162) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
PubChem CID135429162
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H19FN4O2/c24-17-12-10-16(11-13-17)14-28(23(30)25-18-6-2-1-3-7-18)15-21-26-20-9-5-4-8-19(20)22(29)27-21/h1-13H,14-15H2,(H,25,30)(H,26,27,29)
InChIKeyUOJXEBIIPUBENY-UHFFFAOYSA-N
XLogP4.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948205
3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135429004
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 136929486
N-benzyl-2-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478220
N-benzyl-2-(3-fluorophenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738129
N-benzyl-2-bromo-4-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135938102
1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135481243
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-propan-2-ylphenyl)urea
CID 136929510
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135429180
N-[(4-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-pentylpropanamide
CID 137282635
4-[[2-(1H-benzimidazol-2-yl)ethyl-[(4-fluorophenyl)methyl]carbamoyl]amino]benzoic acid
CID 22300931
N-benzyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478145

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea (CID 135429162) is 1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea is O=C(Nc1ccccc1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea?
The InChIKey is UOJXEBIIPUBENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-17-12-10-16(11-13-17)14-28(23(30)25-18-6-2-1-3-7-18)15-21-26-20-9-5-4-8-19(20)22(29)27-21/h1-13H,14-15H2,(H,25,30)(H,26,27,29).
What are the key properties of 1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea?
1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea has a molecular weight of 402.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea is sourced from PubChem (CID 135429162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).