1-(7-heptoxyquinolin-3-yl)ethanol

C18H25NO2 — CID 67407596

IUPAC1-(7-heptoxyquinolin-3-yl)ethanol
SMILESCCCCCCCOc1ccc2cc(C(C)O)cnc2c1
InChIInChI=1S/C18H25NO2/c1-3-4-5-6-7-10-21-17-9-8-15-11-16(14(2)20)13-19-18(15)12-17/h8-9,11-14,20H,3-7,10H2,1-2H3
InChIKeyBVACYFMMUHKJGP-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.64
Rot. Bonds8

About 1-(7-heptoxyquinolin-3-yl)ethanol

1-(7-heptoxyquinolin-3-yl)ethanol (PubChem CID 67407596) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(7-heptoxyquinolin-3-yl)ethanol.

Molecular Properties

Compound Name1-(7-heptoxyquinolin-3-yl)ethanol
PubChem CID67407596
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(7-heptoxyquinolin-3-yl)ethanol
SMILESCCCCCCCOc1ccc2cc(C(C)O)cnc2c1
InChIInChI=1S/C18H25NO2/c1-3-4-5-6-7-10-21-17-9-8-15-11-16(14(2)20)13-19-18(15)12-17/h8-9,11-14,20H,3-7,10H2,1-2H3
InChIKeyBVACYFMMUHKJGP-UHFFFAOYSA-N
XLogP4.64
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
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 1-(7-heptoxyquinolin-3-yl)ethanol?
The IUPAC name of 1-(7-heptoxyquinolin-3-yl)ethanol (CID 67407596) is 1-(7-heptoxyquinolin-3-yl)ethanol.
What is the SMILES notation for 1-(7-heptoxyquinolin-3-yl)ethanol?
The canonical SMILES for 1-(7-heptoxyquinolin-3-yl)ethanol is CCCCCCCOc1ccc2cc(C(C)O)cnc2c1.
What is the InChIKey of 1-(7-heptoxyquinolin-3-yl)ethanol?
The InChIKey is BVACYFMMUHKJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-4-5-6-7-10-21-17-9-8-15-11-16(14(2)20)13-19-18(15)12-17/h8-9,11-14,20H,3-7,10H2,1-2H3.
What are the key properties of 1-(7-heptoxyquinolin-3-yl)ethanol?
1-(7-heptoxyquinolin-3-yl)ethanol has a molecular weight of 287.40 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-heptoxyquinolin-3-yl)ethanol is sourced from PubChem (CID 67407596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).