1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea

C18H16FN3O2 — CID 112975869

IUPAC1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
SMILESO=C(NCCOc1ccc2ncccc2c1)Nc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c19-14-3-5-15(6-4-14)22-18(23)21-10-11-24-16-7-8-17-13(12-16)2-1-9-20-17/h1-9,12H,10-11H2,(H2,21,22,23)
InChIKeyMSEAYWGNMHWQHF-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea

1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea (PubChem CID 112975869) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
PubChem CID112975869
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
SMILESO=C(NCCOc1ccc2ncccc2c1)Nc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c19-14-3-5-15(6-4-14)22-18(23)21-10-11-24-16-7-8-17-13(12-16)2-1-9-20-17/h1-9,12H,10-11H2,(H2,21,22,23)
InChIKeyMSEAYWGNMHWQHF-UHFFFAOYSA-N
XLogP3.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975907
1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 112975894
1-(1,3-benzodioxol-5-yl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975914
1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea
CID 112975863
1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
CID 112975832
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 86870027
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide
CID 113102147
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975777

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea (CID 112975869) is 1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea is O=C(NCCOc1ccc2ncccc2c1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea?
The InChIKey is MSEAYWGNMHWQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-3-5-15(6-4-14)22-18(23)21-10-11-24-16-7-8-17-13(12-16)2-1-9-20-17/h1-9,12H,10-11H2,(H2,21,22,23).
What are the key properties of 1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea?
1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea has a molecular weight of 325.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea is sourced from PubChem (CID 112975869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).