(Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol

C20H26FNO2 — CID 67804160

IUPAC(Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol
SMILESCC(O)/C(F)=C/CCCCCCCOc1ccc2ccccc2n1
InChIInChI=1S/C20H26FNO2/c1-16(23)18(21)11-6-4-2-3-5-9-15-24-20-14-13-17-10-7-8-12-19(17)22-20/h7-8,10-14,16,23H,2-6,9,15H2,1H3/b18-11-
InChIKeyINVQBJQFIUTCLK-WQRHYEAKSA-N
MW331.43 g/mol
LogP5.19
Rot. Bonds10

About (Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol

(Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol (PubChem CID 67804160) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is (Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol.

Molecular Properties

Compound Name(Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol
PubChem CID67804160
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name(Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol
SMILESCC(O)/C(F)=C/CCCCCCCOc1ccc2ccccc2n1
InChIInChI=1S/C20H26FNO2/c1-16(23)18(21)11-6-4-2-3-5-9-15-24-20-14-13-17-10-7-8-12-19(17)22-20/h7-8,10-14,16,23H,2-6,9,15H2,1H3/b18-11-
InChIKeyINVQBJQFIUTCLK-WQRHYEAKSA-N
XLogP5.19
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol?
The IUPAC name of (Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol (CID 67804160) is (Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol.
What is the SMILES notation for (Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol?
The canonical SMILES for (Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol is CC(O)/C(F)=C/CCCCCCCOc1ccc2ccccc2n1.
What is the InChIKey of (Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol?
The InChIKey is INVQBJQFIUTCLK-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H26FNO2/c1-16(23)18(21)11-6-4-2-3-5-9-15-24-20-14-13-17-10-7-8-12-19(17)22-20/h7-8,10-14,16,23H,2-6,9,15H2,1H3/b18-11-.
What are the key properties of (Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol?
(Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol has a molecular weight of 331.43 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol is sourced from PubChem (CID 67804160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).