7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol

C25H27NO — CID 70263038

IUPAC7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2cc3ccc(C=CCCCC(C)O)cc3cn2)cc1
InChIInChI=1S/C25H27NO/c1-3-7-20-10-13-22(14-11-20)25-17-23-15-12-21(16-24(23)18-26-25)9-6-4-5-8-19(2)27/h3,6,9-19,27H,1,4-5,7-8H2,2H3
InChIKeyAVNOLPCVXSYZPE-UHFFFAOYSA-N
MW357.50 g/mol
LogP6.19
Rot. Bonds8

About 7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol

7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol (PubChem CID 70263038) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol.

Molecular Properties

Compound Name7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
PubChem CID70263038
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2cc3ccc(C=CCCCC(C)O)cc3cn2)cc1
InChIInChI=1S/C25H27NO/c1-3-7-20-10-13-22(14-11-20)25-17-23-15-12-21(16-24(23)18-26-25)9-6-4-5-8-19(2)27/h3,6,9-19,27H,1,4-5,7-8H2,2H3
InChIKeyAVNOLPCVXSYZPE-UHFFFAOYSA-N
XLogP6.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352
(E)-7-[3-(3-fluoro-4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263594
7-[6-(6-prop-2-enylnaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70263718
(E)-7-[2-(4-prop-2-enylphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70264319
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
7-(7-prop-2-enylisoquinolin-3-yl)hept-6-en-2-ol
CID 70263255
(E)-7-[5-(4-prop-2-enylphenyl)pyrazin-2-yl]hept-6-en-2-ol
CID 70263498
7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263548
7-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263386
7-[6-[4-(2-fluoro-4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263740
(E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70263664

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol?
The IUPAC name of 7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol (CID 70263038) is 7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol.
What is the SMILES notation for 7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol?
The canonical SMILES for 7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol is C=CCc1ccc(-c2cc3ccc(C=CCCCC(C)O)cc3cn2)cc1.
What is the InChIKey of 7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol?
The InChIKey is AVNOLPCVXSYZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-3-7-20-10-13-22(14-11-20)25-17-23-15-12-21(16-24(23)18-26-25)9-6-4-5-8-19(2)27/h3,6,9-19,27H,1,4-5,7-8H2,2H3.
What are the key properties of 7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol?
7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol has a molecular weight of 357.50 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol is sourced from PubChem (CID 70263038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).