1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea

C16H21N3O2 — CID 112975832

IUPAC1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
SMILESCC(C)(C)NC(=O)NCCOc1ccc2ncccc2c1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)19-15(20)18-9-10-21-13-6-7-14-12(11-13)5-4-8-17-14/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20)
InChIKeyAYHCZIIVRPHPTL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.71
Rot. Bonds4

About 1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea

1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea (PubChem CID 112975832) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
PubChem CID112975832
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
SMILESCC(C)(C)NC(=O)NCCOc1ccc2ncccc2c1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)19-15(20)18-9-10-21-13-6-7-14-12(11-13)5-4-8-17-14/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20)
InChIKeyAYHCZIIVRPHPTL-UHFFFAOYSA-N
XLogP2.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.71
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

2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea
CID 112975863
1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975869
1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 112975894
4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide
CID 113102147
N-(2-methoxyethyl)-2-quinolin-6-yloxyacetamide
CID 47453984
2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide
CID 113102175
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
1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975907
1-tert-butyl-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972410
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea?
The IUPAC name of 1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea (CID 112975832) is 1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea?
The canonical SMILES for 1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea is CC(C)(C)NC(=O)NCCOc1ccc2ncccc2c1.
What is the InChIKey of 1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea?
The InChIKey is AYHCZIIVRPHPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)19-15(20)18-9-10-21-13-6-7-14-12(11-13)5-4-8-17-14/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea?
1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea has a molecular weight of 287.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea is sourced from PubChem (CID 112975832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).