1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione

C20H23N3O2 — CID 3239397

IUPAC1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione
SMILESCc1cc(N2CCC(C)CC2)nc2ccc(N3C(=O)CCC3=O)cc12
InChIInChI=1S/C20H23N3O2/c1-13-7-9-22(10-8-13)18-11-14(2)16-12-15(3-4-17(16)21-18)23-19(24)5-6-20(23)25/h3-4,11-13H,5-10H2,1-2H3
InChIKeySSRRHOKSULXKMG-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.43
Rot. Bonds2

About 1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione

1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione (PubChem CID 3239397) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione
PubChem CID3239397
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione
SMILESCc1cc(N2CCC(C)CC2)nc2ccc(N3C(=O)CCC3=O)cc12
InChIInChI=1S/C20H23N3O2/c1-13-7-9-22(10-8-13)18-11-14(2)16-12-15(3-4-17(16)21-18)23-19(24)5-6-20(23)25/h3-4,11-13H,5-10H2,1-2H3
InChIKeySSRRHOKSULXKMG-UHFFFAOYSA-N
XLogP3.43
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
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 1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione (CID 3239397) is 1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione is Cc1cc(N2CCC(C)CC2)nc2ccc(N3C(=O)CCC3=O)cc12.
What is the InChIKey of 1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione?
The InChIKey is SSRRHOKSULXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-7-9-22(10-8-13)18-11-14(2)16-12-15(3-4-17(16)21-18)23-19(24)5-6-20(23)25/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione?
1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione has a molecular weight of 337.42 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3239397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).