2-(7-heptoxyquinolin-3-yl)ethanol

C18H25NO2 — CID 67408949

IUPAC2-(7-heptoxyquinolin-3-yl)ethanol
SMILESCCCCCCCOc1ccc2cc(CCO)cnc2c1
InChIInChI=1S/C18H25NO2/c1-2-3-4-5-6-11-21-17-8-7-16-12-15(9-10-20)14-19-18(16)13-17/h7-8,12-14,20H,2-6,9-11H2,1H3
InChIKeyIEWQNBIHRCSVDY-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.12
Rot. Bonds9

About 2-(7-heptoxyquinolin-3-yl)ethanol

2-(7-heptoxyquinolin-3-yl)ethanol (PubChem CID 67408949) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(7-heptoxyquinolin-3-yl)ethanol.

Molecular Properties

Compound Name2-(7-heptoxyquinolin-3-yl)ethanol
PubChem CID67408949
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(7-heptoxyquinolin-3-yl)ethanol
SMILESCCCCCCCOc1ccc2cc(CCO)cnc2c1
InChIInChI=1S/C18H25NO2/c1-2-3-4-5-6-11-21-17-8-7-16-12-15(9-10-20)14-19-18(16)13-17/h7-8,12-14,20H,2-6,9-11H2,1H3
InChIKeyIEWQNBIHRCSVDY-UHFFFAOYSA-N
XLogP4.12
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.12
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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Related Compounds

1-(7-heptoxyquinolin-3-yl)ethanol
CID 67407596
7-heptoxyquinoline-3-carbaldehyde
CID 23600236
2-(3-octoxyphenyl)ethanol
CID 141227544
5-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
5-octyl-2-[4-[6-[3-[6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexoxy]phenoxy]hexoxy]phenyl]pyrimidine
CID 101382006
3-hexoxyacridine
CID 141299786
6-[2-(4-hexoxyphenyl)pyrimidin-5-yl]oxyhexan-1-ol
CID 18977783
5-dodecyl-2-[4-[7-[4-(4-methoxyphenyl)phenoxy]heptoxy]phenyl]pyrimidine
CID 101389070
2-(4-butoxyphenyl)-5-octylpyrimidine;hexane;propane
CID 159870433
3-methyl-7-propoxyquinoline
CID 68611316
6-[4-(5-ethylpyrimidin-2-yl)phenoxy]hexan-1-ol
CID 86159674
5-octyl-2-[4-[3-[4-[4-[3-[4-(5-octylpyrimidin-2-yl)phenoxy]propoxy]phenyl]phenoxy]propoxy]phenyl]pyrimidine
CID 177473133

Frequently Asked Questions

What is the IUPAC name of 2-(7-heptoxyquinolin-3-yl)ethanol?
The IUPAC name of 2-(7-heptoxyquinolin-3-yl)ethanol (CID 67408949) is 2-(7-heptoxyquinolin-3-yl)ethanol.
What is the SMILES notation for 2-(7-heptoxyquinolin-3-yl)ethanol?
The canonical SMILES for 2-(7-heptoxyquinolin-3-yl)ethanol is CCCCCCCOc1ccc2cc(CCO)cnc2c1.
What is the InChIKey of 2-(7-heptoxyquinolin-3-yl)ethanol?
The InChIKey is IEWQNBIHRCSVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-3-4-5-6-11-21-17-8-7-16-12-15(9-10-20)14-19-18(16)13-17/h7-8,12-14,20H,2-6,9-11H2,1H3.
What are the key properties of 2-(7-heptoxyquinolin-3-yl)ethanol?
2-(7-heptoxyquinolin-3-yl)ethanol has a molecular weight of 287.40 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-heptoxyquinolin-3-yl)ethanol is sourced from PubChem (CID 67408949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).