4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol

C24H30N2O2 — CID 44534571

IUPAC4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol
SMILESCC[C@H]1CN(Cc2ccco2)CC[C@H]1CCCc1ccnc2ccc(O)cc12
InChIInChI=1S/C24H30N2O2/c1-2-18-16-26(17-22-7-4-14-28-22)13-11-19(18)5-3-6-20-10-12-25-24-9-8-21(27)15-23(20)24/h4,7-10,12,14-15,18-19,27H,2-3,5-6,11,13,16-17H2,1H3/t18-,19+/m0/s1
InChIKeyJSORVKKQORKVRP-RBUKOAKNSA-N
MW378.52 g/mol
LogP5.40
Rot. Bonds7

About 4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol

4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol (PubChem CID 44534571) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol.

Molecular Properties

Compound Name4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol
PubChem CID44534571
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol
SMILESCC[C@H]1CN(Cc2ccco2)CC[C@H]1CCCc1ccnc2ccc(O)cc12
InChIInChI=1S/C24H30N2O2/c1-2-18-16-26(17-22-7-4-14-28-22)13-11-19(18)5-3-6-20-10-12-25-24-9-8-21(27)15-23(20)24/h4,7-10,12,14-15,18-19,27H,2-3,5-6,11,13,16-17H2,1H3/t18-,19+/m0/s1
InChIKeyJSORVKKQORKVRP-RBUKOAKNSA-N
XLogP5.40
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol?
The IUPAC name of 4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol (CID 44534571) is 4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol.
What is the SMILES notation for 4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol?
The canonical SMILES for 4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol is CC[C@H]1CN(Cc2ccco2)CC[C@H]1CCCc1ccnc2ccc(O)cc12.
What is the InChIKey of 4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol?
The InChIKey is JSORVKKQORKVRP-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-18-16-26(17-22-7-4-14-28-22)13-11-19(18)5-3-6-20-10-12-25-24-9-8-21(27)15-23(20)24/h4,7-10,12,14-15,18-19,27H,2-3,5-6,11,13,16-17H2,1H3/t18-,19+/m0/s1.
What are the key properties of 4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol?
4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol has a molecular weight of 378.52 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3R,4R)-3-ethyl-1-(furan-2-ylmethyl)piperidin-4-yl]propyl]quinolin-6-ol is sourced from PubChem (CID 44534571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).