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

C30H28F4N2O — CID 23532649

IUPAC7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one
SMILESCC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(F)cccc4F)c3c2)CC1
InChIInChI=1S/C30H28F4N2O/c1-30(2,3)35-13-11-18(12-14-35)19-15-23(21-8-7-20(31)17-26(21)34)22-9-10-28(37)36(27(22)16-19)29-24(32)5-4-6-25(29)33/h4-10,15-18H,11-14H2,1-3H3
InChIKeyYGYTZVKTGPEFAP-UHFFFAOYSA-N
MW508.56 g/mol
LogP7.19
Rot. Bonds3

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

7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one (PubChem CID 23532649) has the molecular formula C30H28F4N2O and a molecular weight of 508.56 g/mol. Its IUPAC name is 7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one.

Molecular Properties

Compound Name7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one
PubChem CID23532649
Molecular FormulaC30H28F4N2O
Molecular Weight508.56 g/mol
Exact Mass508.21
IUPAC Name7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one
SMILESCC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(F)cccc4F)c3c2)CC1
InChIInChI=1S/C30H28F4N2O/c1-30(2,3)35-13-11-18(12-14-35)19-15-23(21-8-7-20(31)17-26(21)34)22-9-10-28(37)36(27(22)16-19)29-24(32)5-4-6-25(29)33/h4-10,15-18H,11-14H2,1-3H3
InChIKeyYGYTZVKTGPEFAP-UHFFFAOYSA-N
XLogP7.19
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.56
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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)-1-(2,6-dichlorophenyl)-5-(3,4-difluorophenyl)quinolin-2-one
CID 23532577
7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3-phosphanylphenyl)quinolin-2-one
CID 142155920
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
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
1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane
CID 143435632
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
1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane;formic acid
CID 143435697
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
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639543

Frequently Asked Questions

What is the IUPAC name of 7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one?
The IUPAC name of 7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one (CID 23532649) is 7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one.
What is the SMILES notation for 7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one?
The canonical SMILES for 7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one is CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(F)cccc4F)c3c2)CC1.
What is the InChIKey of 7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one?
The InChIKey is YGYTZVKTGPEFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F4N2O/c1-30(2,3)35-13-11-18(12-14-35)19-15-23(21-8-7-20(31)17-26(21)34)22-9-10-28(37)36(27(22)16-19)29-24(32)5-4-6-25(29)33/h4-10,15-18H,11-14H2,1-3H3.
What are the key properties of 7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one?
7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one has a molecular weight of 508.56 g/mol, XLogP of 7.19, 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)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one is sourced from PubChem (CID 23532649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).