4-ethoxy-5,6,7,8-tetrahydroquinoline

C11H15NO — CID 66713972

IUPAC4-ethoxy-5,6,7,8-tetrahydroquinoline
SMILESCCOc1ccnc2c1CCCC2
InChIInChI=1S/C11H15NO/c1-2-13-11-7-8-12-10-6-4-3-5-9(10)11/h7-8H,2-6H2,1H3
InChIKeyKLGKOPUASIPSKG-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.36
Rot. Bonds2

About 4-ethoxy-5,6,7,8-tetrahydroquinoline

4-ethoxy-5,6,7,8-tetrahydroquinoline (PubChem CID 66713972) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-ethoxy-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-ethoxy-5,6,7,8-tetrahydroquinoline
PubChem CID66713972
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-ethoxy-5,6,7,8-tetrahydroquinoline
SMILESCCOc1ccnc2c1CCCC2
InChIInChI=1S/C11H15NO/c1-2-13-11-7-8-12-10-6-4-3-5-9(10)11/h7-8H,2-6H2,1H3
InChIKeyKLGKOPUASIPSKG-UHFFFAOYSA-N
XLogP2.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-ethoxy-5,6,7,8-tetrahydroquinoline (CID 66713972) is 4-ethoxy-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-ethoxy-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-ethoxy-5,6,7,8-tetrahydroquinoline is CCOc1ccnc2c1CCCC2.
What is the InChIKey of 4-ethoxy-5,6,7,8-tetrahydroquinoline?
The InChIKey is KLGKOPUASIPSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-13-11-7-8-12-10-6-4-3-5-9(10)11/h7-8H,2-6H2,1H3.
What are the key properties of 4-ethoxy-5,6,7,8-tetrahydroquinoline?
4-ethoxy-5,6,7,8-tetrahydroquinoline has a molecular weight of 177.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 66713972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).