3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione

C17H20N2O4 — CID 174331197

IUPAC3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione
SMILESCOc1cccc2c1N(C)C(=O)CC2CC1CCC(=O)NC1=O
InChIInChI=1S/C17H20N2O4/c1-19-15(21)9-11(8-10-6-7-14(20)18-17(10)22)12-4-3-5-13(23-2)16(12)19/h3-5,10-11H,6-9H2,1-2H3,(H,18,20,22)
InChIKeyJWMYBAPWDNXPEO-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.59
Rot. Bonds3

About 3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione

3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione (PubChem CID 174331197) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione
PubChem CID174331197
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione
SMILESCOc1cccc2c1N(C)C(=O)CC2CC1CCC(=O)NC1=O
InChIInChI=1S/C17H20N2O4/c1-19-15(21)9-11(8-10-6-7-14(20)18-17(10)22)12-4-3-5-13(23-2)16(12)19/h3-5,10-11H,6-9H2,1-2H3,(H,18,20,22)
InChIKeyJWMYBAPWDNXPEO-UHFFFAOYSA-N
XLogP1.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione (CID 174331197) is 3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione is COc1cccc2c1N(C)C(=O)CC2CC1CCC(=O)NC1=O.
What is the InChIKey of 3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione?
The InChIKey is JWMYBAPWDNXPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-19-15(21)9-11(8-10-6-7-14(20)18-17(10)22)12-4-3-5-13(23-2)16(12)19/h3-5,10-11H,6-9H2,1-2H3,(H,18,20,22).
What are the key properties of 3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione?
3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione has a molecular weight of 316.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 174331197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).