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

C30H30Cl3FN2O — CID 142155856

IUPAC7-(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
SMILESCC(C)(C)N1CC=C(c2cc(C3=CCC(F)C=C3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(O)C=C3)CC1
InChIInChI=1S/C30H30Cl3FN2O/c1-30(2,3)35-13-11-18(12-14-35)19-15-23(21-8-7-20(34)17-26(21)33)22-9-10-28(37)36(27(22)16-19)29-24(31)5-4-6-25(29)32/h4-6,8-11,15-17,20,28,37H,7,12-14H2,1-3H3
InChIKeyQJGDPUPERDWHAC-UHFFFAOYSA-N
MW559.94 g/mol
LogP8.61
Rot. Bonds3

About 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

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 (PubChem CID 142155856) has the molecular formula C30H30Cl3FN2O and a molecular weight of 559.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID142155856
Molecular FormulaC30H30Cl3FN2O
Molecular Weight559.94 g/mol
Exact Mass558.14
IUPAC Name7-(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
SMILESCC(C)(C)N1CC=C(c2cc(C3=CCC(F)C=C3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(O)C=C3)CC1
InChIInChI=1S/C30H30Cl3FN2O/c1-30(2,3)35-13-11-18(12-14-35)19-15-23(21-8-7-20(34)17-26(21)33)22-9-10-28(37)36(27(22)16-19)29-24(31)5-4-6-25(29)32/h4-6,8-11,15-17,20,28,37H,7,12-14H2,1-3H3
InChIKeyQJGDPUPERDWHAC-UHFFFAOYSA-N
XLogP8.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.94
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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-3,6-dihydro-2H-pyridin-4-yl)-5-(2-chloro-4-phosphanylphenyl)-1-(2,6-dichlorophenyl)quinolin-2-one
CID 142155881
1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine
CID 130207875
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
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
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol
CID 142802812
2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 57336606
4-[3-[(1S)-1-hydroxy-2-methoxy-2-oxo-1-phenylethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 159113094
4-(1-tert-butyl-2,3,4,7-tetrahydroazepin-5-yl)benzonitrile
CID 121268895
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
tert-butyl 4-[3-[(1S)-1-hydroxy-2-methoxy-2-oxo-1-phenylethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 140837257

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)N1CC=C(c2cc(C3=CCC(F)C=C3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(O)C=C3)CC1.
What is the InChIKey of 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?
The InChIKey is QJGDPUPERDWHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl3FN2O/c1-30(2,3)35-13-11-18(12-14-35)19-15-23(21-8-7-20(34)17-26(21)33)22-9-10-28(37)36(27(22)16-19)29-24(31)5-4-6-25(29)32/h4-6,8-11,15-17,20,28,37H,7,12-14H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 559.94 g/mol, XLogP of 8.61, 3 rotatable bonds, 1 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)-5-(6-chloro-4-fluorocyclohexa-1,5-dien-1-yl)-1-(2,6-dichlorophenyl)-2H-quinolin-2-ol is sourced from PubChem (CID 142155856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).