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

C18H17FN4O3 — CID 18584956

IUPAC1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea
SMILESCOCCn1c(NC(=O)Nc2ccc(F)cc2)c2ccccc2nc1=O
InChIInChI=1S/C18H17FN4O3/c1-26-11-10-23-16(14-4-2-3-5-15(14)21-18(23)25)22-17(24)20-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H2,20,22,24)
InChIKeyJWXAVAGCBSLIAX-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.83
Rot. Bonds5

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

1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea (PubChem CID 18584956) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea
PubChem CID18584956
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea
SMILESCOCCn1c(NC(=O)Nc2ccc(F)cc2)c2ccccc2nc1=O
InChIInChI=1S/C18H17FN4O3/c1-26-11-10-23-16(14-4-2-3-5-15(14)21-18(23)25)22-17(24)20-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H2,20,22,24)
InChIKeyJWXAVAGCBSLIAX-UHFFFAOYSA-N
XLogP2.83
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea (CID 18584956) is 1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea is COCCn1c(NC(=O)Nc2ccc(F)cc2)c2ccccc2nc1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea?
The InChIKey is JWXAVAGCBSLIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-26-11-10-23-16(14-4-2-3-5-15(14)21-18(23)25)22-17(24)20-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H2,20,22,24).
What are the key properties of 1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea?
1-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea has a molecular weight of 356.36 g/mol, XLogP of 2.83, 5 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-methoxyethyl)-2-oxoquinazolin-4-yl]urea is sourced from PubChem (CID 18584956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).