1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea

C20H21N3O4 — CID 112976070

IUPAC1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESCOc1ccc(NC(=O)NCCOc2cccc3cccnc23)cc1OC
InChIInChI=1S/C20H21N3O4/c1-25-16-9-8-15(13-18(16)26-2)23-20(24)22-11-12-27-17-7-3-5-14-6-4-10-21-19(14)17/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24)
InChIKeyLIBYAYOMRNIEKD-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.45
Rot. Bonds7

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

1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea (PubChem CID 112976070) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
PubChem CID112976070
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESCOc1ccc(NC(=O)NCCOc2cccc3cccnc23)cc1OC
InChIInChI=1S/C20H21N3O4/c1-25-16-9-8-15(13-18(16)26-2)23-20(24)22-11-12-27-17-7-3-5-14-6-4-10-21-19(14)17/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24)
InChIKeyLIBYAYOMRNIEKD-UHFFFAOYSA-N
XLogP3.45
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
N-[2-methoxy-4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 55744137
1-[2-(3-tert-butylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 112972777
5-methoxy-2-methyl-N-(2-quinolin-8-yloxyethyl)pyridine-4-carboxamide
CID 146039784
1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea (CID 112976070) is 1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea is COc1ccc(NC(=O)NCCOc2cccc3cccnc23)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The InChIKey is LIBYAYOMRNIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-16-9-8-15(13-18(16)26-2)23-20(24)22-11-12-27-17-7-3-5-14-6-4-10-21-19(14)17/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea has a molecular weight of 367.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea is sourced from PubChem (CID 112976070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).