2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol

C24H26N2O2 — CID 164611458

IUPAC2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=C/c3ccc(OCCCN4CCCC4)cc3)nc12
InChIInChI=1S/C24H26N2O2/c27-23-6-3-5-20-10-12-21(25-24(20)23)11-7-19-8-13-22(14-9-19)28-18-4-17-26-15-1-2-16-26/h3,5-14,27H,1-2,4,15-18H2/b11-7+
InChIKeyFGKRZODUTWDTSN-YRNVUSSQSA-N
MW374.48 g/mol
LogP4.98
Rot. Bonds7

About 2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol

2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol (PubChem CID 164611458) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol
PubChem CID164611458
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=C/c3ccc(OCCCN4CCCC4)cc3)nc12
InChIInChI=1S/C24H26N2O2/c27-23-6-3-5-20-10-12-21(25-24(20)23)11-7-19-8-13-22(14-9-19)28-18-4-17-26-15-1-2-16-26/h3,5-14,27H,1-2,4,15-18H2/b11-7+
InChIKeyFGKRZODUTWDTSN-YRNVUSSQSA-N
XLogP4.98
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol
CID 4995247
ethyl 3-[8-[4-[2-[4-[3-(azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinolin-2-yl]prop-2-enoate
CID 90691871
1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine
CID 68905693
(E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoic acid
CID 23150322
2-[2-[4-(4-piperidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole
CID 54198123
3-[8-[4-[2-[4-[3-(azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinolin-2-yl]-2-methoxycarbonylprop-2-enoic acid
CID 68930206
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
N-tert-butyl-1-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanimine oxide
CID 169323667
2,7-bis(3-piperidin-1-ylpropoxy)phenanthren-9-ol
CID 91179253
(E)-1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]-3-[4-(2-piperidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 155564123
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-7-ol
CID 21182904
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol (CID 164611458) is 2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol is Oc1cccc2ccc(/C=C/c3ccc(OCCCN4CCCC4)cc3)nc12.
What is the InChIKey of 2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol?
The InChIKey is FGKRZODUTWDTSN-YRNVUSSQSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-23-6-3-5-20-10-12-21(25-24(20)23)11-7-19-8-13-22(14-9-19)28-18-4-17-26-15-1-2-16-26/h3,5-14,27H,1-2,4,15-18H2/b11-7+.
What are the key properties of 2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol?
2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol has a molecular weight of 374.48 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethenyl]quinolin-8-ol is sourced from PubChem (CID 164611458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).