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

C18H17FN4O3 — CID 18584959

IUPAC1-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea
SMILESCOCCn1c(NC(=O)Nc2ccccc2F)c2ccccc2nc1=O
InChIInChI=1S/C18H17FN4O3/c1-26-11-10-23-16(12-6-2-4-8-14(12)21-18(23)25)22-17(24)20-15-9-5-3-7-13(15)19/h2-9H,10-11H2,1H3,(H2,20,22,24)
InChIKeyYNEKKOHYXIRRSX-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.83
Rot. Bonds5

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

1-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea (PubChem CID 18584959) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea
PubChem CID18584959
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name1-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea
SMILESCOCCn1c(NC(=O)Nc2ccccc2F)c2ccccc2nc1=O
InChIInChI=1S/C18H17FN4O3/c1-26-11-10-23-16(12-6-2-4-8-14(12)21-18(23)25)22-17(24)20-15-9-5-3-7-13(15)19/h2-9H,10-11H2,1H3,(H2,20,22,24)
InChIKeyYNEKKOHYXIRRSX-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-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea (CID 18584959) is 1-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea is COCCn1c(NC(=O)Nc2ccccc2F)c2ccccc2nc1=O.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea?
The InChIKey is YNEKKOHYXIRRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-26-11-10-23-16(12-6-2-4-8-14(12)21-18(23)25)22-17(24)20-15-9-5-3-7-13(15)19/h2-9H,10-11H2,1H3,(H2,20,22,24).
What are the key properties of 1-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea?
1-(2-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-(2-fluorophenyl)-3-[3-(2-methoxyethyl)-2-oxoquinazolin-4-yl]urea is sourced from PubChem (CID 18584959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).