ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate

C17H19N3O4 — CID 4596963

IUPACethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate
SMILESCCOC(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1
InChIInChI=1S/C17H19N3O4/c1-3-24-17(22)20-10-6-9-19(20)16(21)14-11-15(23-2)12-7-4-5-8-13(12)18-14/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyDELLENQMHRUZII-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.46
Rot. Bonds3

About ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate

ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate (PubChem CID 4596963) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate
PubChem CID4596963
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Nameethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate
SMILESCCOC(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1
InChIInChI=1S/C17H19N3O4/c1-3-24-17(22)20-10-6-9-19(20)16(21)14-11-15(23-2)12-7-4-5-8-13(12)18-14/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyDELLENQMHRUZII-UHFFFAOYSA-N
XLogP2.46
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate (CID 4596963) is ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate is CCOC(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1.
What is the InChIKey of ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate?
The InChIKey is DELLENQMHRUZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-3-24-17(22)20-10-6-9-19(20)16(21)14-11-15(23-2)12-7-4-5-8-13(12)18-14/h4-5,7-8,11H,3,6,9-10H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate?
ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate is sourced from PubChem (CID 4596963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).