1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one

C21H28N4O2 — CID 134079507

IUPAC1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one
SMILESC=CCN1C(=O)CC2(CCN(C(=O)C3CC(C)NN3)CC2)c2ccccc21
InChIInChI=1S/C21H28N4O2/c1-3-10-25-18-7-5-4-6-16(18)21(14-19(25)26)8-11-24(12-9-21)20(27)17-13-15(2)22-23-17/h3-7,15,17,22-23H,1,8-14H2,2H3
InChIKeySQUWRPWRRPBAKO-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.72
Rot. Bonds3

About 1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one

1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one (PubChem CID 134079507) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one
PubChem CID134079507
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one
SMILESC=CCN1C(=O)CC2(CCN(C(=O)C3CC(C)NN3)CC2)c2ccccc21
InChIInChI=1S/C21H28N4O2/c1-3-10-25-18-7-5-4-6-16(18)21(14-19(25)26)8-11-24(12-9-21)20(27)17-13-15(2)22-23-17/h3-7,15,17,22-23H,1,8-14H2,2H3
InChIKeySQUWRPWRRPBAKO-UHFFFAOYSA-N
XLogP1.72
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one?
The IUPAC name of 1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one (CID 134079507) is 1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one is C=CCN1C(=O)CC2(CCN(C(=O)C3CC(C)NN3)CC2)c2ccccc21.
What is the InChIKey of 1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one?
The InChIKey is SQUWRPWRRPBAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-10-25-18-7-5-4-6-16(18)21(14-19(25)26)8-11-24(12-9-21)20(27)17-13-15(2)22-23-17/h3-7,15,17,22-23H,1,8-14H2,2H3.
What are the key properties of 1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one?
1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one has a molecular weight of 368.48 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-methylpyrazolidine-3-carbonyl)-1-prop-2-enylspiro[3H-quinoline-4,4'-piperidine]-2-one is sourced from PubChem (CID 134079507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).