4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide

C19H22N4O4 — CID 3783080

IUPAC4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1
InChIInChI=1S/C19H22N4O4/c1-20-17(24)8-9-18(25)22-10-5-11-23(22)19(26)15-12-16(27-2)13-6-3-4-7-14(13)21-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,24)
InChIKeyCVFPLMQPALTSQB-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.36
Rot. Bonds5

About 4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide

4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide (PubChem CID 3783080) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide
PubChem CID3783080
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1
InChIInChI=1S/C19H22N4O4/c1-20-17(24)8-9-18(25)22-10-5-11-23(22)19(26)15-12-16(27-2)13-6-3-4-7-14(13)21-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,24)
InChIKeyCVFPLMQPALTSQB-UHFFFAOYSA-N
XLogP1.36
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone
CID 3724508
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3274641
N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
CID 3413008
1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 3869492
N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
CID 3282085
(2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3669701
(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
N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
CID 3798626
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide?
The IUPAC name of 4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide (CID 3783080) is 4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide is CNC(=O)CCC(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1.
What is the InChIKey of 4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide?
The InChIKey is CVFPLMQPALTSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-20-17(24)8-9-18(25)22-10-5-11-23(22)19(26)15-12-16(27-2)13-6-3-4-7-14(13)21-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,24).
What are the key properties of 4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide?
4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide has a molecular weight of 370.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 3783080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).