1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one

C23H26N2O2 — CID 149146668

IUPAC1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one
SMILESO=C(CCCCN1CCCCC1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H26N2O2/c26-22(11-4-7-15-25-13-5-1-6-14-25)19-17-21(23-12-8-16-27-23)24-20-10-3-2-9-18(19)20/h2-3,8-10,12,16-17H,1,4-7,11,13-15H2
InChIKeyRKPOAPFNMWNWQB-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.33
Rot. Bonds7

About 1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one

1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one (PubChem CID 149146668) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one
PubChem CID149146668
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one
SMILESO=C(CCCCN1CCCCC1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H26N2O2/c26-22(11-4-7-15-25-13-5-1-6-14-25)19-17-21(23-12-8-16-27-23)24-20-10-3-2-9-18(19)20/h2-3,8-10,12,16-17H,1,4-7,11,13-15H2
InChIKeyRKPOAPFNMWNWQB-UHFFFAOYSA-N
XLogP5.33
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one?
The IUPAC name of 1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one (CID 149146668) is 1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one?
The canonical SMILES for 1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one is O=C(CCCCN1CCCCC1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one?
The InChIKey is RKPOAPFNMWNWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-22(11-4-7-15-25-13-5-1-6-14-25)19-17-21(23-12-8-16-27-23)24-20-10-3-2-9-18(19)20/h2-3,8-10,12,16-17H,1,4-7,11,13-15H2.
What are the key properties of 1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one?
1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one has a molecular weight of 362.47 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 149146668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).