6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline

C15H21NO — CID 10243002

IUPAC6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline
SMILESCCOc1c(C)cc2c(c1C)C=CC(C)(C)N2
InChIInChI=1S/C15H21NO/c1-6-17-14-10(2)9-13-12(11(14)3)7-8-15(4,5)16-13/h7-9,16H,6H2,1-5H3
InChIKeyYNHDDZWQORZVKB-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.92
Rot. Bonds2

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

6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline (PubChem CID 10243002) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline.

Molecular Properties

Compound Name6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline
PubChem CID10243002
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline
SMILESCCOc1c(C)cc2c(c1C)C=CC(C)(C)N2
InChIInChI=1S/C15H21NO/c1-6-17-14-10(2)9-13-12(11(14)3)7-8-15(4,5)16-13/h7-9,16H,6H2,1-5H3
InChIKeyYNHDDZWQORZVKB-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.92
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
6-(2-methoxyphenyl)-2,2-dimethyl-4-{1-[(2E)-pent-2-en-1-yloxy]ethyl}-1,2-dihydroquinoline
CID 9999671
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10021634
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[2-methyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10068183
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10247253
4-{1-[(2E)-but-2-en-1-yloxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10316670
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)but-3-en-1-yl]-1,2-dihydroquinoline
CID 10362131
6-(2-Methoxyphenyl)-2,2-dimethyl-4-{1-[(3-methylbut-2-en-1-yl)oxy]ethyl}-1,2-dihydroquinoline
CID 10474749
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

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline?
The IUPAC name of 6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline (CID 10243002) is 6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline.
What is the SMILES notation for 6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline?
The canonical SMILES for 6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline is CCOc1c(C)cc2c(c1C)C=CC(C)(C)N2.
What is the InChIKey of 6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline?
The InChIKey is YNHDDZWQORZVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-6-17-14-10(2)9-13-12(11(14)3)7-8-15(4,5)16-13/h7-9,16H,6H2,1-5H3.
What are the key properties of 6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline?
6-ethoxy-2,2,5,7-tetramethyl-1H-quinoline has a molecular weight of 231.34 g/mol, XLogP of 3.92, 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-1H-quinoline is sourced from PubChem (CID 10243002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).