3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline

C15H19NO — CID 142886500

IUPAC3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline
SMILESCCOc1ccc2c(n1)CCC1=C2CCCC1
InChIInChI=1S/C15H19NO/c1-2-17-15-10-8-13-12-6-4-3-5-11(12)7-9-14(13)16-15/h8,10H,2-7,9H2,1H3
InChIKeyRLFZOGYYCMEPDI-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.75
Rot. Bonds2

About 3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline

3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline (PubChem CID 142886500) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline.

Molecular Properties

Compound Name3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline
PubChem CID142886500
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline
SMILESCCOc1ccc2c(n1)CCC1=C2CCCC1
InChIInChI=1S/C15H19NO/c1-2-17-15-10-8-13-12-6-4-3-5-11(12)7-9-14(13)16-15/h8,10H,2-7,9H2,1H3
InChIKeyRLFZOGYYCMEPDI-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline?
The IUPAC name of 3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline (CID 142886500) is 3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline.
What is the SMILES notation for 3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline?
The canonical SMILES for 3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline is CCOc1ccc2c(n1)CCC1=C2CCCC1.
What is the InChIKey of 3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline?
The InChIKey is RLFZOGYYCMEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-17-15-10-8-13-12-6-4-3-5-11(12)7-9-14(13)16-15/h8,10H,2-7,9H2,1H3.
What are the key properties of 3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline?
3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline has a molecular weight of 229.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5,6,7,8,9,10-hexahydrobenzo[f]quinoline is sourced from PubChem (CID 142886500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).