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

C22H16F2N4O2 — CID 18585010

IUPAC1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea
SMILESO=C(Nc1ccccc1F)Nc1c2ccccc2nc(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C22H16F2N4O2/c23-15-11-9-14(10-12-15)13-28-20(16-5-1-3-7-18(16)26-22(28)30)27-21(29)25-19-8-4-2-6-17(19)24/h1-12H,13H2,(H2,25,27,29)
InChIKeyAWAFVSLKLOHWAK-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.37
Rot. Bonds4

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

1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea (PubChem CID 18585010) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea
PubChem CID18585010
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea
SMILESO=C(Nc1ccccc1F)Nc1c2ccccc2nc(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C22H16F2N4O2/c23-15-11-9-14(10-12-15)13-28-20(16-5-1-3-7-18(16)26-22(28)30)27-21(29)25-19-8-4-2-6-17(19)24/h1-12H,13H2,(H2,25,27,29)
InChIKeyAWAFVSLKLOHWAK-UHFFFAOYSA-N
XLogP4.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea
CID 18585014
1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea
CID 18585023
1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea
CID 18585063
1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea
CID 18585029
1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea
CID 8700023
1-(2,6-difluorophenyl)-3-[2-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
CID 41410360
1-(2-methoxyphenyl)-3-[2-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
CID 41410358
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42719605
2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 46860880
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4012996
(2S)-N-(ethylcarbamoyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2639630

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea (CID 18585010) is 1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea is O=C(Nc1ccccc1F)Nc1c2ccccc2nc(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea?
The InChIKey is AWAFVSLKLOHWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c23-15-11-9-14(10-12-15)13-28-20(16-5-1-3-7-18(16)26-22(28)30)27-21(29)25-19-8-4-2-6-17(19)24/h1-12H,13H2,(H2,25,27,29).
What are the key properties of 1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea?
1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea has a molecular weight of 406.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea is sourced from PubChem (CID 18585010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).