6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline

C15H23NO — CID 10220283

IUPAC6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCCOc1c(C)cc2c(c1C)CCC(C)(C)N2
InChIInChI=1S/C15H23NO/c1-6-17-14-10(2)9-13-12(11(14)3)7-8-15(4,5)16-13/h9,16H,6-8H2,1-5H3
InChIKeyRIJVQVYAUHDOGR-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.84
Rot. Bonds2

About 6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline

6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline (PubChem CID 10220283) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline
PubChem CID10220283
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCCOc1c(C)cc2c(c1C)CCC(C)(C)N2
InChIInChI=1S/C15H23NO/c1-6-17-14-10(2)9-13-12(11(14)3)7-8-15(4,5)16-13/h9,16H,6-8H2,1-5H3
InChIKeyRIJVQVYAUHDOGR-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

Ethoxyquin
CID 3293
6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 86013
(5Z)-2,2,4-trimethyl-5-[(2-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 9951771
5-(3-Fluoro-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10499475
9-Fluoro-2,2,4-trimethyl-5-m-tolyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10810135
5-Butyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 44341871
(+)-(S)-7,9-difluoro-2,2,4-trimethyl-5-((S)-3-methylcyclohex-2-enyl)-2,5-dihydro-1H-chromeno[3,4-f]quinoline
CID 24895096
6-ethoxy-2,2,5,7,8-pentamethyl-3,4-dihydro-1H-quinoline
CID 9794877
6-ethoxy-5,7,8-trimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cyclohexane]
CID 9817384
6-ethoxy-2,2-dimethyl-5,7-di(propan-2-yl)-3,4-dihydro-1H-quinoline
CID 9860772
(5Z)-5-benzylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 9885473
9-Fluoro-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10177239

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline (CID 10220283) is 6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline is CCOc1c(C)cc2c(c1C)CCC(C)(C)N2.
What is the InChIKey of 6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline?
The InChIKey is RIJVQVYAUHDOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-17-14-10(2)9-13-12(11(14)3)7-8-15(4,5)16-13/h9,16H,6-8H2,1-5H3.
What are the key properties of 6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline?
6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline has a molecular weight of 233.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,2,5,7-tetramethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 10220283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).