1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione

C24H23N3O3 — CID 134537288

IUPAC1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione
SMILESCCn1c(=O)cc(C2CC2)c2cc(N3C(=O)C(C)C(=O)N3c3ccccc3)ccc21
InChIInChI=1S/C24H23N3O3/c1-3-25-21-12-11-18(13-20(21)19(14-22(25)28)16-9-10-16)27-24(30)15(2)23(29)26(27)17-7-5-4-6-8-17/h4-8,11-16H,3,9-10H2,1-2H3
InChIKeyCUCHLYGDCMLYRV-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.83
Rot. Bonds4

About 1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione

1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione (PubChem CID 134537288) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione
PubChem CID134537288
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione
SMILESCCn1c(=O)cc(C2CC2)c2cc(N3C(=O)C(C)C(=O)N3c3ccccc3)ccc21
InChIInChI=1S/C24H23N3O3/c1-3-25-21-12-11-18(13-20(21)19(14-22(25)28)16-9-10-16)27-24(30)15(2)23(29)26(27)17-7-5-4-6-8-17/h4-8,11-16H,3,9-10H2,1-2H3
InChIKeyCUCHLYGDCMLYRV-UHFFFAOYSA-N
XLogP3.83
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione?
The IUPAC name of 1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione (CID 134537288) is 1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione.
What is the SMILES notation for 1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione?
The canonical SMILES for 1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione is CCn1c(=O)cc(C2CC2)c2cc(N3C(=O)C(C)C(=O)N3c3ccccc3)ccc21.
What is the InChIKey of 1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione?
The InChIKey is CUCHLYGDCMLYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-25-21-12-11-18(13-20(21)19(14-22(25)28)16-9-10-16)27-24(30)15(2)23(29)26(27)17-7-5-4-6-8-17/h4-8,11-16H,3,9-10H2,1-2H3.
What are the key properties of 1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione?
1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione has a molecular weight of 401.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-4-methyl-2-phenylpyrazolidine-3,5-dione is sourced from PubChem (CID 134537288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).