1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

C24H38N2O2 — CID 118719927

IUPAC1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1
InChIInChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2
InChIKeyWOWRXMYCLGLRFQ-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.40
Rot. Bonds11

About 1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 118719927) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
PubChem CID118719927
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1
InChIInChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2
InChIKeyWOWRXMYCLGLRFQ-UHFFFAOYSA-N
XLogP4.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.40
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-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 118719927) is 1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1.
What is the InChIKey of 1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is WOWRXMYCLGLRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2.
What are the key properties of 1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 386.58 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(7-hydroxyheptyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 118719927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).