7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol

C25H27NO2 — CID 70262916

IUPAC7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc3cc(C=CCCCC(C)O)ccc3n2)cc1
InChIInChI=1S/C25H27NO2/c1-3-17-28-23-13-10-21(11-14-23)24-16-12-22-18-20(9-15-25(22)26-24)8-6-4-5-7-19(2)27/h3,6,8-16,18-19,27H,1,4-5,7,17H2,2H3
InChIKeySTROJWZFBCIHAL-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.03
Rot. Bonds9

About 7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol

7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol (PubChem CID 70262916) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol
PubChem CID70262916
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol
SMILESC=CCOc1ccc(-c2ccc3cc(C=CCCCC(C)O)ccc3n2)cc1
InChIInChI=1S/C25H27NO2/c1-3-17-28-23-13-10-21(11-14-23)24-16-12-22-18-20(9-15-25(22)26-24)8-6-4-5-7-19(2)27/h3,6,8-16,18-19,27H,1,4-5,7,17H2,2H3
InChIKeySTROJWZFBCIHAL-UHFFFAOYSA-N
XLogP6.03
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.03
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-(4-prop-2-enylphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70264319
(E)-7-[6-[4-(4-prop-2-enoxyphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263832
(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70264367
(E)-7-[6-(6-prop-2-enoxynaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70260765
7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol
CID 70260925
7-[6-(4-prop-2-enoxyphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70260940
(E)-7-[3-fluoro-4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70261014
(E)-7-[6-(6-prop-2-enoxy-3-pyridinyl)naphthalen-2-yl]hept-6-en-2-ol
CID 70265166
7-[5-(6-prop-2-enoxynaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70265197
(E)-7-[4-(2-prop-2-enoxyquinazolin-6-yl)phenyl]hept-6-en-2-ol
CID 70312016
(E)-7-[4-[2-fluoro-4-(4-prop-2-enoxyphenyl)phenyl]phenyl]hept-6-en-2-ol
CID 70265319
7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263038

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol?
The IUPAC name of 7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol (CID 70262916) is 7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol.
What is the SMILES notation for 7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol?
The canonical SMILES for 7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol is C=CCOc1ccc(-c2ccc3cc(C=CCCCC(C)O)ccc3n2)cc1.
What is the InChIKey of 7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol?
The InChIKey is STROJWZFBCIHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-3-17-28-23-13-10-21(11-14-23)24-16-12-22-18-20(9-15-25(22)26-24)8-6-4-5-7-19(2)27/h3,6,8-16,18-19,27H,1,4-5,7,17H2,2H3.
What are the key properties of 7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol?
7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol has a molecular weight of 373.50 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol is sourced from PubChem (CID 70262916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).