(E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol

C24H25FN2O — CID 70262804

IUPAC(E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc2nc(-c3ccc(/C=C/CCCC(C)O)cc3F)cnc2c1
InChIInChI=1S/C24H25FN2O/c1-3-7-18-11-13-22-23(15-18)26-16-24(27-22)20-12-10-19(14-21(20)25)9-6-4-5-8-17(2)28/h3,6,9-17,28H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyCKBWCYDQGYSEOP-RMKNXTFCSA-N
MW376.48 g/mol
LogP5.73
Rot. Bonds8

About (E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol

(E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol (PubChem CID 70262804) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is (E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol
PubChem CID70262804
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name(E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol
SMILESC=CCc1ccc2nc(-c3ccc(/C=C/CCCC(C)O)cc3F)cnc2c1
InChIInChI=1S/C24H25FN2O/c1-3-7-18-11-13-22-23(15-18)26-16-24(27-22)20-12-10-19(14-21(20)25)9-6-4-5-8-17(2)28/h3,6,9-17,28H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyCKBWCYDQGYSEOP-RMKNXTFCSA-N
XLogP5.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-[3-fluoro-4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264311
(E)-7-[3-fluoro-4-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]phenyl]hept-6-en-2-ol
CID 70263409
7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263548
7-[6-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263740
(E)-7-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]hept-6-en-2-ol
CID 70263936
(E)-7-[2-(4-prop-2-enylphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70264319
2-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enylquinoline
CID 70264415
7-[6-(6-prop-2-enylnaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70263718
(E)-7-[3-fluoro-4-(6-prop-2-enoxy-3-pyridinyl)phenyl]hept-6-en-2-ol
CID 70313141
(E)-7-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]hept-6-en-2-ol
CID 70265240
7-[3-fluoro-4-[4-(5-prop-2-enoxypyrimidin-2-yl)phenyl]phenyl]hept-6-en-2-ol
CID 70263223
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352

Frequently Asked Questions

What is the IUPAC name of (E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol (CID 70262804) is (E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol is C=CCc1ccc2nc(-c3ccc(/C=C/CCCC(C)O)cc3F)cnc2c1.
What is the InChIKey of (E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol?
The InChIKey is CKBWCYDQGYSEOP-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-3-7-18-11-13-22-23(15-18)26-16-24(27-22)20-12-10-19(14-21(20)25)9-6-4-5-8-17(2)28/h3,6,9-17,28H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of (E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol?
(E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol has a molecular weight of 376.48 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[3-fluoro-4-(6-prop-2-enylquinoxalin-2-yl)phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70262804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).