8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one

C20H25N3O2 — CID 154743118

IUPAC8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one
SMILESCC1(N2CCCC2)CCN(C(=O)c2cccc3ccc(=O)[nH]c23)CC1
InChIInChI=1S/C20H25N3O2/c1-20(23-11-2-3-12-23)9-13-22(14-10-20)19(25)16-6-4-5-15-7-8-17(24)21-18(15)16/h4-8H,2-3,9-14H2,1H3,(H,21,24)
InChIKeyZIMDBYHGTWIZSC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.62
Rot. Bonds2

About 8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one

8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one (PubChem CID 154743118) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one
PubChem CID154743118
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one
SMILESCC1(N2CCCC2)CCN(C(=O)c2cccc3ccc(=O)[nH]c23)CC1
InChIInChI=1S/C20H25N3O2/c1-20(23-11-2-3-12-23)9-13-22(14-10-20)19(25)16-6-4-5-15-7-8-17(24)21-18(15)16/h4-8H,2-3,9-14H2,1H3,(H,21,24)
InChIKeyZIMDBYHGTWIZSC-UHFFFAOYSA-N
XLogP2.62
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one (CID 154743118) is 8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one is CC1(N2CCCC2)CCN(C(=O)c2cccc3ccc(=O)[nH]c23)CC1.
What is the InChIKey of 8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one?
The InChIKey is ZIMDBYHGTWIZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(23-11-2-3-12-23)9-13-22(14-10-20)19(25)16-6-4-5-15-7-8-17(24)21-18(15)16/h4-8H,2-3,9-14H2,1H3,(H,21,24).
What are the key properties of 8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one?
8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 154743118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).