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

C24H21FN4O3 — CID 18585063

IUPAC1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea
SMILESCOc1ccc(CCn2c(NC(=O)Nc3ccc(F)cc3)c3ccccc3nc2=O)cc1
InChIInChI=1S/C24H21FN4O3/c1-32-19-12-6-16(7-13-19)14-15-29-22(20-4-2-3-5-21(20)27-24(29)31)28-23(30)26-18-10-8-17(25)9-11-18/h2-13H,14-15H2,1H3,(H2,26,28,30)
InChIKeyUKNLNNQXTUTTLE-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.43
Rot. Bonds6

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

1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea (PubChem CID 18585063) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea
PubChem CID18585063
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea
SMILESCOc1ccc(CCn2c(NC(=O)Nc3ccc(F)cc3)c3ccccc3nc2=O)cc1
InChIInChI=1S/C24H21FN4O3/c1-32-19-12-6-16(7-13-19)14-15-29-22(20-4-2-3-5-21(20)27-24(29)31)28-23(30)26-18-10-8-17(25)9-11-18/h2-13H,14-15H2,1H3,(H2,26,28,30)
InChIKeyUKNLNNQXTUTTLE-UHFFFAOYSA-N
XLogP4.43
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea
CID 18585014
1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea
CID 18585010
2-[4-[(4-fluorophenyl)methylamino]-2-oxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 56685548
1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea
CID 18585029
N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599
1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea
CID 8700023
1-(4-fluorophenyl)-3-[4-[[1-(2-phenylethyl)benzimidazol-2-yl]methylsulfanyl]phenyl]urea
CID 46249718
1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
CID 35280532
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 55806426
1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
CID 41410355
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7577823

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea (CID 18585063) is 1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea is COc1ccc(CCn2c(NC(=O)Nc3ccc(F)cc3)c3ccccc3nc2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea?
The InChIKey is UKNLNNQXTUTTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-32-19-12-6-16(7-13-19)14-15-29-22(20-4-2-3-5-21(20)27-24(29)31)28-23(30)26-18-10-8-17(25)9-11-18/h2-13H,14-15H2,1H3,(H2,26,28,30).
What are the key properties of 1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea?
1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea has a molecular weight of 432.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea is sourced from PubChem (CID 18585063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).