1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea

C18H16FN3O2 — CID 112970303

IUPAC1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
SMILESO=C(NCCOc1ccccc1F)Nc1cccc2cccnc12
InChIInChI=1S/C18H16FN3O2/c19-14-7-1-2-9-16(14)24-12-11-21-18(23)22-15-8-3-5-13-6-4-10-20-17(13)15/h1-10H,11-12H2,(H2,21,22,23)
InChIKeyCONYATXVQBNKME-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.57
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea

1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea (PubChem CID 112970303) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
PubChem CID112970303
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
SMILESO=C(NCCOc1ccccc1F)Nc1cccc2cccnc12
InChIInChI=1S/C18H16FN3O2/c19-14-7-1-2-9-16(14)24-12-11-21-18(23)22-15-8-3-5-13-6-4-10-20-17(13)15/h1-10H,11-12H2,(H2,21,22,23)
InChIKeyCONYATXVQBNKME-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-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101867
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea
CID 112974813
1-[3-(4-tert-butylphenoxy)propyl]-3-quinolin-8-ylurea
CID 108882910
8-[4-(2-fluorophenoxy)butoxy]quinoline
CID 4302402
2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide
CID 109020977
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea (CID 112970303) is 1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea is O=C(NCCOc1ccccc1F)Nc1cccc2cccnc12.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea?
The InChIKey is CONYATXVQBNKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-7-1-2-9-16(14)24-12-11-21-18(23)22-15-8-3-5-13-6-4-10-20-17(13)15/h1-10H,11-12H2,(H2,21,22,23).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea?
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea 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-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea is sourced from PubChem (CID 112970303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).