N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide

C22H21FN4O3 — CID 3282085

IUPACN-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
SMILESCOc1cc(C(=O)N2CCCN2C(=O)NCc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C22H21FN4O3/c1-30-20-13-19(25-18-6-3-2-5-17(18)20)21(28)26-11-4-12-27(26)22(29)24-14-15-7-9-16(23)10-8-15/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,24,29)
InChIKeyXNKZFAHRJPDFPI-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.36
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide (PubChem CID 3282085) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
PubChem CID3282085
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
SMILESCOc1cc(C(=O)N2CCCN2C(=O)NCc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C22H21FN4O3/c1-30-20-13-19(25-18-6-3-2-5-17(18)20)21(28)26-11-4-12-27(26)22(29)24-14-15-7-9-16(23)10-8-15/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,24,29)
InChIKeyXNKZFAHRJPDFPI-UHFFFAOYSA-N
XLogP3.36
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3274641
ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate
CID 4596963
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3693938
4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide
CID 3783080
N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
CID 3798626
(2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3669701
2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone
CID 3724508
(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3367250
(4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone
CID 3835128
1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 3869492
N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
CID 3413008
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide
CID 3602399

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide (CID 3282085) is N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide is COc1cc(C(=O)N2CCCN2C(=O)NCc2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide?
The InChIKey is XNKZFAHRJPDFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-30-20-13-19(25-18-6-3-2-5-17(18)20)21(28)26-11-4-12-27(26)22(29)24-14-15-7-9-16(23)10-8-15/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,24,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 3282085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).