1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

C22H34N2O2 — CID 118719926

IUPAC1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1
InChIInChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2
InChIKeyQKTOQRPNKITPLN-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.62
Rot. Bonds9

About 1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 118719926) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
PubChem CID118719926
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1
InChIInChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2
InChIKeyQKTOQRPNKITPLN-UHFFFAOYSA-N
XLogP3.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.62
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-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 118719926) is 1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1.
What is the InChIKey of 1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is QKTOQRPNKITPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2.
What are the key properties of 1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 358.53 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(5-hydroxypentyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 118719926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).