7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one

C31H29ClF2N2O — CID 142155828

IUPAC7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one
SMILESCc1cccc(Cl)c1-n1c(=O)ccc2c(-c3ccc(F)cc3F)cc(C3=CCN(C(C)(C)C)CC3)cc21
InChIInChI=1S/C31H29ClF2N2O/c1-19-6-5-7-26(32)30(19)36-28-17-21(20-12-14-35(15-13-20)31(2,3)4)16-25(24(28)10-11-29(36)37)23-9-8-22(33)18-27(23)34/h5-12,16-18H,13-15H2,1-4H3
InChIKeyLBGQYGZTGOQOIO-UHFFFAOYSA-N
MW519.04 g/mol
LogP7.79
Rot. Bonds3

About 7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one

7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one (PubChem CID 142155828) has the molecular formula C31H29ClF2N2O and a molecular weight of 519.04 g/mol. Its IUPAC name is 7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one.

Molecular Properties

Compound Name7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one
PubChem CID142155828
Molecular FormulaC31H29ClF2N2O
Molecular Weight519.04 g/mol
Exact Mass518.19
IUPAC Name7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one
SMILESCc1cccc(Cl)c1-n1c(=O)ccc2c(-c3ccc(F)cc3F)cc(C3=CCN(C(C)(C)C)CC3)cc21
InChIInChI=1S/C31H29ClF2N2O/c1-19-6-5-7-26(32)30(19)36-28-17-21(20-12-14-35(15-13-20)31(2,3)4)16-25(24(28)10-11-29(36)37)23-9-8-22(33)18-27(23)34/h5-12,16-18H,13-15H2,1-4H3
InChIKeyLBGQYGZTGOQOIO-UHFFFAOYSA-N
XLogP7.79
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.04
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-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)-1,5-dimethylquinolin-2-one
CID 23532589
7-(1-tert-butylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one
CID 23532649
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
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-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-(6-chloro-4-fluorocyclohexa-1,5-dien-1-yl)-1-(2,6-dichlorophenyl)-2H-quinolin-2-ol
CID 142155856
7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(3-phosphanylphenyl)quinolin-2-one
CID 142155920
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-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane
CID 156797432

Frequently Asked Questions

What is the IUPAC name of 7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
The IUPAC name of 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) is 7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one.
What is the SMILES notation for 7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
The canonical SMILES for 7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one is Cc1cccc(Cl)c1-n1c(=O)ccc2c(-c3ccc(F)cc3F)cc(C3=CCN(C(C)(C)C)CC3)cc21.
What is the InChIKey of 7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
The InChIKey is LBGQYGZTGOQOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClF2N2O/c1-19-6-5-7-26(32)30(19)36-28-17-21(20-12-14-35(15-13-20)31(2,3)4)16-25(24(28)10-11-29(36)37)23-9-8-22(33)18-27(23)34/h5-12,16-18H,13-15H2,1-4H3.
What are the key properties of 7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one has a molecular weight of 519.04 g/mol, XLogP of 7.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-chloro-6-methylphenyl)-5-(2,4-difluorophenyl)quinolin-2-one is sourced from PubChem (CID 142155828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).