7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one

C30H28Cl2F2N2O — CID 11685293

IUPAC7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one
SMILESCC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1
InChIInChI=1S/C30H28Cl2F2N2O/c1-30(2,3)35-13-11-18(12-14-35)19-15-23(21-8-7-20(33)17-26(21)34)22-9-10-28(37)36(27(22)16-19)29-24(31)5-4-6-25(29)32/h4-10,15-18H,11-14H2,1-3H3
InChIKeyYQMXHHPOKLHLOD-UHFFFAOYSA-N
MW541.47 g/mol
LogP8.22
Rot. Bonds3

About 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one

7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one (PubChem CID 11685293) has the molecular formula C30H28Cl2F2N2O and a molecular weight of 541.47 g/mol. Its IUPAC name is 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one.

Molecular Properties

Compound Name7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one
PubChem CID11685293
Molecular FormulaC30H28Cl2F2N2O
Molecular Weight541.47 g/mol
Exact Mass540.15
IUPAC Name7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one
SMILESCC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1
InChIInChI=1S/C30H28Cl2F2N2O/c1-30(2,3)35-13-11-18(12-14-35)19-15-23(21-8-7-20(33)17-26(21)34)22-9-10-28(37)36(27(22)16-19)29-24(31)5-4-6-25(29)32/h4-10,15-18H,11-14H2,1-3H3
InChIKeyYQMXHHPOKLHLOD-UHFFFAOYSA-N
XLogP8.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.47
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One
CID 447725
1-(2,6-Dichlorophenyl)-5-(2,4-difluorophenyl)-7-[1-(propan-2-yl)piperidin-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 23647628
7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2(1H)-one
CID 9829283
7-(1-tert-butyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)quinolin-2(1H)-one
CID 10166322
5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)quinolin-2-one
CID 22648200
2-(4-(5-(2-Chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2-dihydroquinolin-7-yl)piperidin-1-yl)-2-methylpropanoic acid
CID 23532607
7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)quinolin-2(1H)-one
CID 23532675
5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(8-isopropyl-8-aza-bicyclo[3.2.1]octan-3-yl)quinolin-2(1H)-one
CID 23532688
5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl)quinolin-2(1H)-one
CID 23532689
7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)quinolin-2(1H)-one
CID 23532696
7-(1-tert-butylpiperidin-4-yl)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2(1H)-one
CID 23532737
7-(8-aza-bicyclo[3.2.1]octan-3-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)quinolin-2(1H)-one
CID 23532851

Frequently Asked Questions

What is the IUPAC name of 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
The IUPAC name of 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one (CID 11685293) is 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one.
What is the SMILES notation for 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
The canonical SMILES for 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one is CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1.
What is the InChIKey of 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
The InChIKey is YQMXHHPOKLHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2F2N2O/c1-30(2,3)35-13-11-18(12-14-35)19-15-23(21-8-7-20(33)17-26(21)34)22-9-10-28(37)36(27(22)16-19)29-24(31)5-4-6-25(29)32/h4-10,15-18H,11-14H2,1-3H3.
What are the key properties of 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one has a molecular weight of 541.47 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one is sourced from PubChem (CID 11685293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).