1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea

C21H23N3O3 — CID 112975985

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
SMILESCOc1ccccc1CCNC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C21H23N3O3/c1-26-18-9-3-2-6-16(18)11-13-23-21(25)24-14-15-27-19-10-4-7-17-8-5-12-22-20(17)19/h2-10,12H,11,13-15H2,1H3,(H2,23,24,25)
InChIKeyXCMTWAFGPLJLTK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.16
Rot. Bonds8

About 1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea

1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea (PubChem CID 112975985) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
PubChem CID112975985
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
SMILESCOc1ccccc1CCNC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C21H23N3O3/c1-26-18-9-3-2-6-16(18)11-13-23-21(25)24-14-15-27-19-10-4-7-17-8-5-12-22-20(17)19/h2-10,12H,11,13-15H2,1H3,(H2,23,24,25)
InChIKeyXCMTWAFGPLJLTK-UHFFFAOYSA-N
XLogP3.16
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
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-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 111339049
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112975641
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178675
1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112975963

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea (CID 112975985) is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea is COc1ccccc1CCNC(=O)NCCOc1cccc2cccnc12.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea?
The InChIKey is XCMTWAFGPLJLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-18-9-3-2-6-16(18)11-13-23-21(25)24-14-15-27-19-10-4-7-17-8-5-12-22-20(17)19/h2-10,12H,11,13-15H2,1H3,(H2,23,24,25).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea?
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea has a molecular weight of 365.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea is sourced from PubChem (CID 112975985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).