7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one

C30H28Cl2F2N2O — CID 23532577

IUPAC7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one
SMILESCC(C)(C)N1CCC(c2cc(-c3ccc(F)c(F)c3)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1
InChIInChI=1S/C30H28Cl2F2N2O/c1-30(2,3)35-13-11-18(12-14-35)20-15-22(19-7-9-25(33)26(34)16-19)21-8-10-28(37)36(27(21)17-20)29-23(31)5-4-6-24(29)32/h4-10,15-18H,11-14H2,1-3H3
InChIKeyCXOZYASRZUIDEO-UHFFFAOYSA-N
MW541.47 g/mol
LogP8.22
Rot. Bonds3

About 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one

7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one (PubChem CID 23532577) 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-(3,4-difluorophenyl)quinolin-2-one.

Molecular Properties

Compound Name7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one
PubChem CID23532577
Molecular FormulaC30H28Cl2F2N2O
Molecular Weight541.47 g/mol
Exact Mass540.15
IUPAC Name7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one
SMILESCC(C)(C)N1CCC(c2cc(-c3ccc(F)c(F)c3)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1
InChIInChI=1S/C30H28Cl2F2N2O/c1-30(2,3)35-13-11-18(12-14-35)20-15-22(19-7-9-25(33)26(34)16-19)21-8-10-28(37)36(27(21)17-20)29-23(31)5-4-6-24(29)32/h4-10,15-18H,11-14H2,1-3H3
InChIKeyCXOZYASRZUIDEO-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

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Related Compounds

7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3-phosphanylphenyl)quinolin-2-one
CID 142155920
7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one
CID 23532696
7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one
CID 23532649
7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one
CID 142155828
1-tert-butyl-4-[4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-7-oxo-1,8-naphthyridin-2-yl]piperidine-4-carboxylic acid
CID 23532635
7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one;hydrochloride
CID 173220690
7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-(2-chloro-4-phosphanylphenyl)-1-(2,6-dichlorophenyl)quinolin-2-one
CID 142155881
7-[1-tert-butyl-4-(hydroxymethyl)piperidin-4-yl]-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one;7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one;7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one;7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-phenyl-1,8-naphthyridin-2-one
CID 159139554
7-(3-azatricyclo[4.1.0.01,3]heptan-7-ylamino)-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one
CID 142802824
1-tert-butyl-4-(3-methylphenyl)piperidine
CID 158482737
8-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-6-(2-chlorophenyl)-1-(2,6-difluorophenyl)quinolizin-2-one;8-(1-tert-butylpiperidin-4-yl)-6-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)quinolizin-2-one;8-(1-tert-butylpiperidin-4-yl)-6-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)quinolizin-2-one;8-(1-tert-butylpiperidin-4-yl)-6-(2-chlorophenyl)-1-(2,6-difluorophenyl)quinolizin-2-one
CID 157336253
1-(2,6-dichlorophenyl)quinolin-2-one
CID 142155853

Frequently Asked Questions

What is the IUPAC name of 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one?
The IUPAC name of 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one (CID 23532577) is 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one.
What is the SMILES notation for 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one?
The canonical SMILES for 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one is CC(C)(C)N1CCC(c2cc(-c3ccc(F)c(F)c3)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1.
What is the InChIKey of 7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one?
The InChIKey is CXOZYASRZUIDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2F2N2O/c1-30(2,3)35-13-11-18(12-14-35)20-15-22(19-7-9-25(33)26(34)16-19)21-8-10-28(37)36(27(21)17-20)29-23(31)5-4-6-24(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-(3,4-difluorophenyl)quinolin-2-one?
7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3,4-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-(3,4-difluorophenyl)quinolin-2-one is sourced from PubChem (CID 23532577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).