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

C30H28Cl2F2N2O2 — CID 23532566

IUPAC7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one
SMILESCC(C)(C)N1CCC(Oc2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1
InChIInChI=1S/C30H28Cl2F2N2O2/c1-30(2,3)35-13-11-19(12-14-35)38-20-16-23(21-8-7-18(33)15-26(21)34)22-9-10-28(37)36(27(22)17-20)29-24(31)5-4-6-25(29)32/h4-10,15-17,19H,11-14H2,1-3H3
InChIKeyJQOVBKYILXMYIK-UHFFFAOYSA-N
MW557.47 g/mol
LogP7.88
Rot. Bonds4

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

7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one (PubChem CID 23532566) has the molecular formula C30H28Cl2F2N2O2 and a molecular weight of 557.47 g/mol. Its IUPAC name is 7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one.

Molecular Properties

Compound Name7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one
PubChem CID23532566
Molecular FormulaC30H28Cl2F2N2O2
Molecular Weight557.47 g/mol
Exact Mass556.15
IUPAC Name7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one
SMILESCC(C)(C)N1CCC(Oc2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1
InChIInChI=1S/C30H28Cl2F2N2O2/c1-30(2,3)35-13-11-19(12-14-35)38-20-16-23(21-8-7-18(33)15-26(21)34)22-9-10-28(37)36(27(22)17-20)29-24(31)5-4-6-25(29)32/h4-10,15-17,19H,11-14H2,1-3H3
InChIKeyJQOVBKYILXMYIK-UHFFFAOYSA-N
XLogP7.88
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.47
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
The IUPAC name of 7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one (CID 23532566) is 7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one.
What is the SMILES notation for 7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
The canonical SMILES for 7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one is CC(C)(C)N1CCC(Oc2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1.
What is the InChIKey of 7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
The InChIKey is JQOVBKYILXMYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2F2N2O2/c1-30(2,3)35-13-11-19(12-14-35)38-20-16-23(21-8-7-18(33)15-26(21)34)22-9-10-28(37)36(27(22)17-20)29-24(31)5-4-6-25(29)32/h4-10,15-17,19H,11-14H2,1-3H3.
What are the key properties of 7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one?
7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one has a molecular weight of 557.47 g/mol, XLogP of 7.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-tert-butylpiperidin-4-yl)oxy-1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)quinolin-2-one is sourced from PubChem (CID 23532566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).