6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol

C21H26N2O — CID 170191515

IUPAC6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol
SMILESC=Cc1nc(CCCCCN2CCCc3ccccc32)ccc1O
InChIInChI=1S/C21H26N2O/c1-2-19-21(24)14-13-18(22-19)11-4-3-7-15-23-16-8-10-17-9-5-6-12-20(17)23/h2,5-6,9,12-14,24H,1,3-4,7-8,10-11,15-16H2
InChIKeyAHDZQCJRCVAIPJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.60
Rot. Bonds7

About 6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol

6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol (PubChem CID 170191515) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol.

Molecular Properties

Compound Name6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol
PubChem CID170191515
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol
SMILESC=Cc1nc(CCCCCN2CCCc3ccccc32)ccc1O
InChIInChI=1S/C21H26N2O/c1-2-19-21(24)14-13-18(22-19)11-4-3-7-15-23-16-8-10-17-9-5-6-12-20(17)23/h2,5-6,9,12-14,24H,1,3-4,7-8,10-11,15-16H2
InChIKeyAHDZQCJRCVAIPJ-UHFFFAOYSA-N
XLogP4.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-2-ethenylpyridin-3-ol
CID 170191505
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
2-ethenyl-6-[4-(4-methylpiperidin-1-yl)butyl]pyridin-3-ol
CID 170191507
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131
6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylhexan-1-amine
CID 13472124
8-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyloctan-1-amine
CID 13472133
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
1-[3-(3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydro-2H-quinoline
CID 69033782
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
CID 92532372
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol?
The IUPAC name of 6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol (CID 170191515) is 6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol.
What is the SMILES notation for 6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol?
The canonical SMILES for 6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol is C=Cc1nc(CCCCCN2CCCc3ccccc32)ccc1O.
What is the InChIKey of 6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol?
The InChIKey is AHDZQCJRCVAIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-19-21(24)14-13-18(22-19)11-4-3-7-15-23-16-8-10-17-9-5-6-12-20(17)23/h2,5-6,9,12-14,24H,1,3-4,7-8,10-11,15-16H2.
What are the key properties of 6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol?
6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol has a molecular weight of 322.45 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]-2-ethenylpyridin-3-ol is sourced from PubChem (CID 170191515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).