2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline

C18H21NO2 — CID 13157282

IUPAC2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline
SMILESCCCCOC(C)c1cc2c(C)nc3ccccc3c2o1
InChIInChI=1S/C18H21NO2/c1-4-5-10-20-13(3)17-11-15-12(2)19-16-9-7-6-8-14(16)18(15)21-17/h6-9,11,13H,4-5,10H2,1-3H3
InChIKeyNZCPWWWETUMEQM-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.17
Rot. Bonds5

About 2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline

2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline (PubChem CID 13157282) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline.

Molecular Properties

Compound Name2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline
PubChem CID13157282
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline
SMILESCCCCOC(C)c1cc2c(C)nc3ccccc3c2o1
InChIInChI=1S/C18H21NO2/c1-4-5-10-20-13(3)17-11-15-12(2)19-16-9-7-6-8-14(16)18(15)21-17/h6-9,11,13H,4-5,10H2,1-3H3
InChIKeyNZCPWWWETUMEQM-UHFFFAOYSA-N
XLogP5.17
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline?
The IUPAC name of 2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline (CID 13157282) is 2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline.
What is the SMILES notation for 2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline?
The canonical SMILES for 2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline is CCCCOC(C)c1cc2c(C)nc3ccccc3c2o1.
What is the InChIKey of 2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline?
The InChIKey is NZCPWWWETUMEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-5-10-20-13(3)17-11-15-12(2)19-16-9-7-6-8-14(16)18(15)21-17/h6-9,11,13H,4-5,10H2,1-3H3.
What are the key properties of 2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline?
2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline has a molecular weight of 283.37 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxyethyl)-4-methylfuro[3,2-c]quinoline is sourced from PubChem (CID 13157282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).