1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

C30H50N2O2 — CID 118719930

IUPAC1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1
InChIInChI=1S/C30H50N2O2/c33-26-13-9-7-5-3-1-2-4-6-8-10-15-27-20-24-31(25-21-27)22-14-23-32-29-17-12-11-16-28(29)18-19-30(32)34/h11-12,16-17,27,33H,1-10,13-15,18-26H2
InChIKeyZOEYTLRCDGNMCU-UHFFFAOYSA-N
MW470.74 g/mol
LogP6.74
Rot. Bonds17

About 1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 118719930) has the molecular formula C30H50N2O2 and a molecular weight of 470.74 g/mol. Its IUPAC name is 1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
PubChem CID118719930
Molecular FormulaC30H50N2O2
Molecular Weight470.74 g/mol
Exact Mass470.39
IUPAC Name1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1
InChIInChI=1S/C30H50N2O2/c33-26-13-9-7-5-3-1-2-4-6-8-10-15-27-20-24-31(25-21-27)22-14-23-32-29-17-12-11-16-28(29)18-19-30(32)34/h11-12,16-17,27,33H,1-10,13-15,18-26H2
InChIKeyZOEYTLRCDGNMCU-UHFFFAOYSA-N
XLogP6.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.74
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 118719930) is 1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1.
What is the InChIKey of 1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is ZOEYTLRCDGNMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N2O2/c33-26-13-9-7-5-3-1-2-4-6-8-10-15-27-20-24-31(25-21-27)22-14-23-32-29-17-12-11-16-28(29)18-19-30(32)34/h11-12,16-17,27,33H,1-10,13-15,18-26H2.
What are the key properties of 1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 470.74 g/mol, XLogP of 6.74, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 118719930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).