1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea

C20H21N3O3 — CID 112976064

IUPAC1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESCCOc1ccc(NC(=O)NCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O3/c1-2-25-17-10-8-16(9-11-17)23-20(24)22-13-14-26-18-7-3-5-15-6-4-12-21-19(15)18/h3-12H,2,13-14H2,1H3,(H2,22,23,24)
InChIKeyGQZBELBBKCEXAQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.83
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea

1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea (PubChem CID 112976064) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
PubChem CID112976064
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESCCOc1ccc(NC(=O)NCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O3/c1-2-25-17-10-8-16(9-11-17)23-20(24)22-13-14-26-18-7-3-5-15-6-4-12-21-19(15)18/h3-12H,2,13-14H2,1H3,(H2,22,23,24)
InChIKeyGQZBELBBKCEXAQ-UHFFFAOYSA-N
XLogP3.83
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972292
1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976043
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea (CID 112976064) is 1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea is CCOc1ccc(NC(=O)NCCOc2cccc3cccnc23)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The InChIKey is GQZBELBBKCEXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-25-17-10-8-16(9-11-17)23-20(24)22-13-14-26-18-7-3-5-15-6-4-12-21-19(15)18/h3-12H,2,13-14H2,1H3,(H2,22,23,24).
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea has a molecular weight of 351.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea is sourced from PubChem (CID 112976064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).