1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea

C20H21N3O2 — CID 112976035

IUPAC1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESCCc1ccccc1NC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C20H21N3O2/c1-2-15-7-3-4-10-17(15)23-20(24)22-13-14-25-18-11-5-8-16-9-6-12-21-19(16)18/h3-12H,2,13-14H2,1H3,(H2,22,23,24)
InChIKeyQXCWAGJBXYLRFX-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.00
Rot. Bonds6

About 1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea

1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea (PubChem CID 112976035) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
PubChem CID112976035
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESCCc1ccccc1NC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C20H21N3O2/c1-2-15-7-3-4-10-17(15)23-20(24)22-13-14-25-18-11-5-8-16-9-6-12-21-19(16)18/h3-12H,2,13-14H2,1H3,(H2,22,23,24)
InChIKeyQXCWAGJBXYLRFX-UHFFFAOYSA-N
XLogP4.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.00
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-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098
N-(2-ethylphenyl)-2-quinolin-8-yloxyacetamide
CID 40655687
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976043
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The IUPAC name of 1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea (CID 112976035) is 1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea is CCc1ccccc1NC(=O)NCCOc1cccc2cccnc12.
What is the InChIKey of 1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The InChIKey is QXCWAGJBXYLRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-15-7-3-4-10-17(15)23-20(24)22-13-14-25-18-11-5-8-16-9-6-12-21-19(16)18/h3-12H,2,13-14H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea has a molecular weight of 335.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea is sourced from PubChem (CID 112976035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).