5-tert-butyl-2-ethoxyquinoline

C15H19NO — CID 174825204

IUPAC5-tert-butyl-2-ethoxyquinoline
SMILESCCOc1ccc2c(C(C)(C)C)cccc2n1
InChIInChI=1S/C15H19NO/c1-5-17-14-10-9-11-12(15(2,3)4)7-6-8-13(11)16-14/h6-10H,5H2,1-4H3
InChIKeyDFVLTYBQQKRVIU-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.93
Rot. Bonds2

About 5-tert-butyl-2-ethoxyquinoline

5-tert-butyl-2-ethoxyquinoline (PubChem CID 174825204) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-tert-butyl-2-ethoxyquinoline.

Molecular Properties

Compound Name5-tert-butyl-2-ethoxyquinoline
PubChem CID174825204
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5-tert-butyl-2-ethoxyquinoline
SMILESCCOc1ccc2c(C(C)(C)C)cccc2n1
InChIInChI=1S/C15H19NO/c1-5-17-14-10-9-11-12(15(2,3)4)7-6-8-13(11)16-14/h6-10H,5H2,1-4H3
InChIKeyDFVLTYBQQKRVIU-UHFFFAOYSA-N
XLogP3.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2-ethoxyquinoline 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

2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline
CID 174825203
ethane;2-ethoxy-4-methylquinoline
CID 142037221
3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine
CID 146488321
9-tert-butylacridine;4-tert-butylquinoline;ethane
CID 167564366
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
6-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762565
2-ethoxy-6-ethylpyridine
CID 58662042
2-ethoxy-6-phenylpyridine
CID 58166184
2-[(6-ethoxy-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058536
N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
6-(2-tert-butylphenoxy)-2-ethoxypyridin-3-amine
CID 43261983
3-nonoxy-8-octoxy-4,7-phenanthroline
CID 21267382

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethoxyquinoline?
The IUPAC name of 5-tert-butyl-2-ethoxyquinoline (CID 174825204) is 5-tert-butyl-2-ethoxyquinoline.
What is the SMILES notation for 5-tert-butyl-2-ethoxyquinoline?
The canonical SMILES for 5-tert-butyl-2-ethoxyquinoline is CCOc1ccc2c(C(C)(C)C)cccc2n1.
What is the InChIKey of 5-tert-butyl-2-ethoxyquinoline?
The InChIKey is DFVLTYBQQKRVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-17-14-10-9-11-12(15(2,3)4)7-6-8-13(11)16-14/h6-10H,5H2,1-4H3.
What are the key properties of 5-tert-butyl-2-ethoxyquinoline?
5-tert-butyl-2-ethoxyquinoline has a molecular weight of 229.32 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethoxyquinoline is sourced from PubChem (CID 174825204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).