1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea

C21H23N3O2 — CID 112975863

IUPAC1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCCOc2ccc3ncccc3c2)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-14-11-15(2)20(16(3)12-14)24-21(25)23-9-10-26-18-6-7-19-17(13-18)5-4-8-22-19/h4-8,11-13H,9-10H2,1-3H3,(H2,23,24,25)
InChIKeySYCFHWCIOOMBLO-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.36
Rot. Bonds5

About 1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea

1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 112975863) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID112975863
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCCOc2ccc3ncccc3c2)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-14-11-15(2)20(16(3)12-14)24-21(25)23-9-10-26-18-6-7-19-17(13-18)5-4-8-22-19/h4-8,11-13H,9-10H2,1-3H3,(H2,23,24,25)
InChIKeySYCFHWCIOOMBLO-UHFFFAOYSA-N
XLogP4.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.36
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-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
CID 112975832
1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975869
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975907
1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 112975894
1-(1,3-benzodioxol-5-yl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975914
1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975777
4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide
CID 113102147
N-(2-methoxyethyl)-2-quinolin-6-yloxyacetamide
CID 47453984
1-[2-(3-bromophenoxy)ethyl]-3-(2-chloro-4,6-dimethylphenyl)urea
CID 112971224
2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide
CID 113102175
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734

Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea (CID 112975863) is 1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NCCOc2ccc3ncccc3c2)c(C)c1.
What is the InChIKey of 1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is SYCFHWCIOOMBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-11-15(2)20(16(3)12-14)24-21(25)23-9-10-26-18-6-7-19-17(13-18)5-4-8-22-19/h4-8,11-13H,9-10H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea?
1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 349.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 112975863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).