1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

C24H37N3O2 — CID 146627449

IUPAC1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCN2CCCO2)CC1
InChIInChI=1S/C24H37N3O2/c28-24-11-10-22-8-1-2-9-23(22)27(24)17-5-14-25-18-12-21(13-19-25)7-3-4-15-26-16-6-20-29-26/h1-2,8-9,21H,3-7,10-20H2
InChIKeyOGFOBXKFWBLFIT-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.88
Rot. Bonds9

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

1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 146627449) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
PubChem CID146627449
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCN2CCCO2)CC1
InChIInChI=1S/C24H37N3O2/c28-24-11-10-22-8-1-2-9-23(22)27(24)17-5-14-25-18-12-21(13-19-25)7-3-4-15-26-16-6-20-29-26/h1-2,8-9,21H,3-7,10-20H2
InChIKeyOGFOBXKFWBLFIT-UHFFFAOYSA-N
XLogP3.88
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.88
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-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 146627449) is 1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCN1CCC(CCCCN2CCCO2)CC1.
What is the InChIKey of 1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is OGFOBXKFWBLFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c28-24-11-10-22-8-1-2-9-23(22)27(24)17-5-14-25-18-12-21(13-19-25)7-3-4-15-26-16-6-20-29-26/h1-2,8-9,21H,3-7,10-20H2.
What are the key properties of 1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 399.58 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[4-(1,2-oxazolidin-2-yl)butyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 146627449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).