5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol

C32H46N4O2 — CID 136823488

IUPAC5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol
SMILESCCCCCCCCCCCCCCCCCCOc1cc(/N=N/c2ccccn2)c(O)c2ncccc12
InChIInChI=1S/C32H46N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-38-29-26-28(35-36-30-22-17-18-23-33-30)32(37)31-27(29)21-20-24-34-31/h17-18,20-24,26,37H,2-16,19,25H2,1H3/b36-35+
InChIKeyFIHFMQUPNYZMGO-ULDVOPSXSA-N
MW518.75 g/mol
LogP10.39
Rot. Bonds20

About 5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol

5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol (PubChem CID 136823488) has the molecular formula C32H46N4O2 and a molecular weight of 518.75 g/mol. Its IUPAC name is 5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol.

Molecular Properties

Compound Name5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol
PubChem CID136823488
Molecular FormulaC32H46N4O2
Molecular Weight518.75 g/mol
Exact Mass518.36
IUPAC Name5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol
SMILESCCCCCCCCCCCCCCCCCCOc1cc(/N=N/c2ccccn2)c(O)c2ncccc12
InChIInChI=1S/C32H46N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-38-29-26-28(35-36-30-22-17-18-23-33-30)32(37)31-27(29)21-20-24-34-31/h17-18,20-24,26,37H,2-16,19,25H2,1H3/b36-35+
InChIKeyFIHFMQUPNYZMGO-ULDVOPSXSA-N
XLogP10.39
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.75
LogP ≤ 510.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 19873008
1,4-didodecoxynaphthalene
CID 21304164
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CID 118693655
4-butoxy-2-[(6-methyl-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol
CID 136846941
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
2-tridecoxyphenol
CID 67178320
ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol
CID 136657550
(4-heptoxyquinolin-2-yl)methanamine
CID 63377719
11,12-bis(decoxymethyl)quinoxalino[2,3-f][1,10]phenanthroline
CID 102391462
2,3-didecoxypyridine
CID 151922374
benzene-1,2-diol;2-hexoxyphenol
CID 70150520

Frequently Asked Questions

What is the IUPAC name of 5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol?
The IUPAC name of 5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol (CID 136823488) is 5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol.
What is the SMILES notation for 5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol?
The canonical SMILES for 5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol is CCCCCCCCCCCCCCCCCCOc1cc(/N=N/c2ccccn2)c(O)c2ncccc12.
What is the InChIKey of 5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol?
The InChIKey is FIHFMQUPNYZMGO-ULDVOPSXSA-N. The full InChI is InChI=1S/C32H46N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-38-29-26-28(35-36-30-22-17-18-23-33-30)32(37)31-27(29)21-20-24-34-31/h17-18,20-24,26,37H,2-16,19,25H2,1H3/b36-35+.
What are the key properties of 5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol?
5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol has a molecular weight of 518.75 g/mol, XLogP of 10.39, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octadecoxy-7-(pyridin-2-yldiazenyl)quinolin-8-ol is sourced from PubChem (CID 136823488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).