7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline

C22H26N2O2 — CID 142283396

IUPAC7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline
SMILESC=C/C=C(\C=C)OC1CCN(CCOc2ccc3cccnc3c2)CC1
InChIInChI=1S/C22H26N2O2/c1-3-6-19(4-2)26-20-10-13-24(14-11-20)15-16-25-21-9-8-18-7-5-12-23-22(18)17-21/h3-9,12,17,20H,1-2,10-11,13-16H2/b19-6+
InChIKeyRSHFXXSFNZAOPV-KPSZGOFPSA-N
MW350.46 g/mol
LogP4.35
Rot. Bonds8

About 7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline

7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline (PubChem CID 142283396) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline.

Molecular Properties

Compound Name7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline
PubChem CID142283396
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline
SMILESC=C/C=C(\C=C)OC1CCN(CCOc2ccc3cccnc3c2)CC1
InChIInChI=1S/C22H26N2O2/c1-3-6-19(4-2)26-20-10-13-24(14-11-20)15-16-25-21-9-8-18-7-5-12-23-22(18)17-21/h3-9,12,17,20H,1-2,10-11,13-16H2/b19-6+
InChIKeyRSHFXXSFNZAOPV-KPSZGOFPSA-N
XLogP4.35
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline
CID 134242877
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
3-quinolin-7-yloxypropanal
CID 107314214
3-quinolin-7-yloxypropane-1-thiol
CID 107315768
N-(2-quinolin-7-yloxyethyl)cyclohexanamine
CID 107315321
N-(4-quinolin-7-yloxybutyl)cyclopropanamine
CID 107314991
7-(3-pyrrolidin-2-ylpropoxy)quinoline
CID 107313758
5-amino-1-(2-quinolin-7-yloxyethyl)pyridin-2-one
CID 107313309
[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272
methyl 1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxylate
CID 10380866
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
7-(2-bromoethoxy)quinoline;1,2-dibromoethane;quinolin-7-ol
CID 159602221

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline?
The IUPAC name of 7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline (CID 142283396) is 7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline.
What is the SMILES notation for 7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline?
The canonical SMILES for 7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline is C=C/C=C(\C=C)OC1CCN(CCOc2ccc3cccnc3c2)CC1.
What is the InChIKey of 7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline?
The InChIKey is RSHFXXSFNZAOPV-KPSZGOFPSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-6-19(4-2)26-20-10-13-24(14-11-20)15-16-25-21-9-8-18-7-5-12-23-22(18)17-21/h3-9,12,17,20H,1-2,10-11,13-16H2/b19-6+.
What are the key properties of 7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline?
7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline has a molecular weight of 350.46 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethoxy]quinoline is sourced from PubChem (CID 142283396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).