1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

C26H42N2O2 — CID 118719928

IUPAC1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1
InChIInChI=1S/C26H42N2O2/c29-22-9-5-3-1-2-4-6-11-23-16-20-27(21-17-23)18-10-19-28-25-13-8-7-12-24(25)14-15-26(28)30/h7-8,12-13,23,29H,1-6,9-11,14-22H2
InChIKeyAWEBVNCNTLOVSN-UHFFFAOYSA-N
MW414.63 g/mol
LogP5.18
Rot. Bonds13

About 1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 118719928) has the molecular formula C26H42N2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is 1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
PubChem CID118719928
Molecular FormulaC26H42N2O2
Molecular Weight414.63 g/mol
Exact Mass414.32
IUPAC Name1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1
InChIInChI=1S/C26H42N2O2/c29-22-9-5-3-1-2-4-6-11-23-16-20-27(21-17-23)18-10-19-28-25-13-8-7-12-24(25)14-15-26(28)30/h7-8,12-13,23,29H,1-6,9-11,14-22H2
InChIKeyAWEBVNCNTLOVSN-UHFFFAOYSA-N
XLogP5.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 55.18
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-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 118719928) is 1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1.
What is the InChIKey of 1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is AWEBVNCNTLOVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O2/c29-22-9-5-3-1-2-4-6-11-23-16-20-27(21-17-23)18-10-19-28-25-13-8-7-12-24(25)14-15-26(28)30/h7-8,12-13,23,29H,1-6,9-11,14-22H2.
What are the key properties of 1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 414.63 g/mol, XLogP of 5.18, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(9-hydroxynonyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 118719928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).