7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol

C25H25F2NO2 — CID 70260925

IUPAC7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc2nc(-c3ccc(C=CCCCC(C)O)c(F)c3F)ccc2c1
InChIInChI=1S/C25H25F2NO2/c1-3-15-30-20-11-14-22-19(16-20)10-13-23(28-22)21-12-9-18(24(26)25(21)27)8-6-4-5-7-17(2)29/h3,6,8-14,16-17,29H,1,4-5,7,15H2,2H3
InChIKeyWBFBFIDNOACVPT-UHFFFAOYSA-N
MW409.48 g/mol
LogP6.31
Rot. Bonds9

About 7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol

7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol (PubChem CID 70260925) has the molecular formula C25H25F2NO2 and a molecular weight of 409.48 g/mol. Its IUPAC name is 7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol
PubChem CID70260925
Molecular FormulaC25H25F2NO2
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol
SMILESC=CCOc1ccc2nc(-c3ccc(C=CCCCC(C)O)c(F)c3F)ccc2c1
InChIInChI=1S/C25H25F2NO2/c1-3-15-30-20-11-14-22-19(16-20)10-13-23(28-22)21-12-9-18(24(26)25(21)27)8-6-4-5-7-17(2)29/h3,6,8-14,16-17,29H,1,4-5,7,15H2,2H3
InChIKeyWBFBFIDNOACVPT-UHFFFAOYSA-N
XLogP6.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 56.31
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-[2,3-difluoro-4-(7-prop-2-enoxyisoquinolin-3-yl)phenyl]hept-6-en-2-ol
CID 70264495
7-[2,3-difluoro-4-(5-prop-2-enoxy-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264361
(E)-7-[2,3-difluoro-4-(5-prop-2-enoxy-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264356
7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70262916
7-(6-prop-2-enoxyquinoxalin-2-yl)hept-6-en-2-ol
CID 70263963
(E)-7-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]hept-6-en-2-ol
CID 70265240
(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70261014
7-[2,3-difluoro-4-(2-prop-2-enylquinoxalin-6-yl)phenyl]hept-6-en-2-ol
CID 70263046
7-[2-fluoro-4-[5-(4-prop-2-enoxyphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70260796
(E)-7-[6-(6-prop-2-enoxynaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70260765
(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70264367
7-[4-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]phenyl]hept-6-en-2-ol
CID 70261199

Frequently Asked Questions

What is the IUPAC name of 7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol?
The IUPAC name of 7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol (CID 70260925) is 7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol.
What is the SMILES notation for 7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol?
The canonical SMILES for 7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol is C=CCOc1ccc2nc(-c3ccc(C=CCCCC(C)O)c(F)c3F)ccc2c1.
What is the InChIKey of 7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol?
The InChIKey is WBFBFIDNOACVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2NO2/c1-3-15-30-20-11-14-22-19(16-20)10-13-23(28-22)21-12-9-18(24(26)25(21)27)8-6-4-5-7-17(2)29/h3,6,8-14,16-17,29H,1,4-5,7,15H2,2H3.
What are the key properties of 7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol?
7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol has a molecular weight of 409.48 g/mol, XLogP of 6.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol is sourced from PubChem (CID 70260925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).