(2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone

C20H17ClN4O3 — CID 3669701

IUPAC(2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCN2C(=O)c2cccnc2Cl)nc2ccccc12
InChIInChI=1S/C20H17ClN4O3/c1-28-17-12-16(23-15-8-3-2-6-13(15)17)20(27)25-11-5-10-24(25)19(26)14-7-4-9-22-18(14)21/h2-4,6-9,12H,5,10-11H2,1H3
InChIKeyDGVFSFUPHZMBIG-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.20
Rot. Bonds3

About (2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone

(2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone (PubChem CID 3669701) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
PubChem CID3669701
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name(2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCN2C(=O)c2cccnc2Cl)nc2ccccc12
InChIInChI=1S/C20H17ClN4O3/c1-28-17-12-16(23-15-8-3-2-6-13(15)17)20(27)25-11-5-10-24(25)19(26)14-7-4-9-22-18(14)21/h2-4,6-9,12H,5,10-11H2,1H3
InChIKeyDGVFSFUPHZMBIG-UHFFFAOYSA-N
XLogP3.20
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone (CID 3669701) is (2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone is COc1cc(C(=O)N2CCCN2C(=O)c2cccnc2Cl)nc2ccccc12.
What is the InChIKey of (2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone?
The InChIKey is DGVFSFUPHZMBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-28-17-12-16(23-15-8-3-2-6-13(15)17)20(27)25-11-5-10-24(25)19(26)14-7-4-9-22-18(14)21/h2-4,6-9,12H,5,10-11H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone?
(2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone has a molecular weight of 396.83 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 3669701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).