5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide

C20H19FN4O2 — CID 75355090

IUPAC5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CC(c3ccc(F)cc3)NN2)c2ncccc2c1
InChIInChI=1S/C20H19FN4O2/c1-27-15-9-13-3-2-8-22-19(13)17(10-15)23-20(26)18-11-16(24-25-18)12-4-6-14(21)7-5-12/h2-10,16,18,24-25H,11H2,1H3,(H,23,26)
InChIKeyRKFCQOFHBPELQB-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.93
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide

5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide (PubChem CID 75355090) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide
PubChem CID75355090
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CC(c3ccc(F)cc3)NN2)c2ncccc2c1
InChIInChI=1S/C20H19FN4O2/c1-27-15-9-13-3-2-8-22-19(13)17(10-15)23-20(26)18-11-16(24-25-18)12-4-6-14(21)7-5-12/h2-10,16,18,24-25H,11H2,1H3,(H,23,26)
InChIKeyRKFCQOFHBPELQB-UHFFFAOYSA-N
XLogP2.93
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide (CID 75355090) is 5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide is COc1cc(NC(=O)C2CC(c3ccc(F)cc3)NN2)c2ncccc2c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide?
The InChIKey is RKFCQOFHBPELQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-15-9-13-3-2-8-22-19(13)17(10-15)23-20(26)18-11-16(24-25-18)12-4-6-14(21)7-5-12/h2-10,16,18,24-25H,11H2,1H3,(H,23,26).
What are the key properties of 5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide?
5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75355090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).