3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione

C24H22ClFN2O2 — CID 158335303

IUPAC3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione
SMILESCc1cc(F)cc2c(C3CCN(C(=O)C(=O)Cc4ccc(Cl)cc4)CC3)ccnc12
InChIInChI=1S/C24H22ClFN2O2/c1-15-12-19(26)14-21-20(6-9-27-23(15)21)17-7-10-28(11-8-17)24(30)22(29)13-16-2-4-18(25)5-3-16/h2-6,9,12,14,17H,7-8,10-11,13H2,1H3
InChIKeyKFZPSIHJCBDCTA-UHFFFAOYSA-N
MW424.90 g/mol
LogP4.85
Rot. Bonds4

About 3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione

3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione (PubChem CID 158335303) has the molecular formula C24H22ClFN2O2 and a molecular weight of 424.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione
PubChem CID158335303
Molecular FormulaC24H22ClFN2O2
Molecular Weight424.90 g/mol
Exact Mass424.14
IUPAC Name3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione
SMILESCc1cc(F)cc2c(C3CCN(C(=O)C(=O)Cc4ccc(Cl)cc4)CC3)ccnc12
InChIInChI=1S/C24H22ClFN2O2/c1-15-12-19(26)14-21-20(6-9-27-23(15)21)17-7-10-28(11-8-17)24(30)22(29)13-16-2-4-18(25)5-3-16/h2-6,9,12,14,17H,7-8,10-11,13H2,1H3
InChIKeyKFZPSIHJCBDCTA-UHFFFAOYSA-N
XLogP4.85
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.90
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione (CID 158335303) is 3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione is Cc1cc(F)cc2c(C3CCN(C(=O)C(=O)Cc4ccc(Cl)cc4)CC3)ccnc12.
What is the InChIKey of 3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione?
The InChIKey is KFZPSIHJCBDCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O2/c1-15-12-19(26)14-21-20(6-9-27-23(15)21)17-7-10-28(11-8-17)24(30)22(29)13-16-2-4-18(25)5-3-16/h2-6,9,12,14,17H,7-8,10-11,13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione?
3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione has a molecular weight of 424.90 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]propane-1,2-dione is sourced from PubChem (CID 158335303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).