2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone

C20H25N3O4 — CID 3724508

IUPAC2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone
SMILESCCCCOCC(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1
InChIInChI=1S/C20H25N3O4/c1-3-4-12-27-14-19(24)22-10-7-11-23(22)20(25)17-13-18(26-2)15-8-5-6-9-16(15)21-17/h5-6,8-9,13H,3-4,7,10-12,14H2,1-2H3
InChIKeySSBCJFRBJIYEHA-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.65
Rot. Bonds7

About 2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone

2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone (PubChem CID 3724508) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone
PubChem CID3724508
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone
SMILESCCCCOCC(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1
InChIInChI=1S/C20H25N3O4/c1-3-4-12-27-14-19(24)22-10-7-11-23(22)20(25)17-13-18(26-2)15-8-5-6-9-16(15)21-17/h5-6,8-9,13H,3-4,7,10-12,14H2,1-2H3
InChIKeySSBCJFRBJIYEHA-UHFFFAOYSA-N
XLogP2.65
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide
CID 3783080
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3693938
1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 3869492
(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3367250
(2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3669701
(4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone
CID 3835128
N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
CID 3282085
N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
CID 3413008
N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
CID 3798626
4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide
CID 22184825

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone?
The IUPAC name of 2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone (CID 3724508) is 2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone.
What is the SMILES notation for 2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone?
The canonical SMILES for 2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone is CCCCOCC(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1.
What is the InChIKey of 2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone?
The InChIKey is SSBCJFRBJIYEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-4-12-27-14-19(24)22-10-7-11-23(22)20(25)17-13-18(26-2)15-8-5-6-9-16(15)21-17/h5-6,8-9,13H,3-4,7,10-12,14H2,1-2H3.
What are the key properties of 2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone?
2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone is sourced from PubChem (CID 3724508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).