6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one

C24H17ClF3NO4 — CID 170432119

IUPAC6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one
SMILESCOc1cc2c(cc1Cl)c(=O)c(-c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)c(C)n2O
InChIInChI=1S/C24H17ClF3NO4/c1-13-22(23(30)18-11-19(25)21(32-2)12-20(18)29(13)31)16-5-3-14(4-6-16)15-7-9-17(10-8-15)33-24(26,27)28/h3-12,31H,1-2H3
InChIKeyKQUHOVBCWLEEHE-UHFFFAOYSA-N
MW475.85 g/mol
LogP6.44
Rot. Bonds4

About 6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one

6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one (PubChem CID 170432119) has the molecular formula C24H17ClF3NO4 and a molecular weight of 475.85 g/mol. Its IUPAC name is 6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one
PubChem CID170432119
Molecular FormulaC24H17ClF3NO4
Molecular Weight475.85 g/mol
Exact Mass475.08
IUPAC Name6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one
SMILESCOc1cc2c(cc1Cl)c(=O)c(-c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)c(C)n2O
InChIInChI=1S/C24H17ClF3NO4/c1-13-22(23(30)18-11-19(25)21(32-2)12-20(18)29(13)31)16-5-3-14(4-6-16)15-7-9-17(10-8-15)33-24(26,27)28/h3-12,31H,1-2H3
InChIKeyKQUHOVBCWLEEHE-UHFFFAOYSA-N
XLogP6.44
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.85
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one?
The IUPAC name of 6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one (CID 170432119) is 6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one.
What is the SMILES notation for 6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one?
The canonical SMILES for 6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one is COc1cc2c(cc1Cl)c(=O)c(-c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)c(C)n2O.
What is the InChIKey of 6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one?
The InChIKey is KQUHOVBCWLEEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3NO4/c1-13-22(23(30)18-11-19(25)21(32-2)12-20(18)29(13)31)16-5-3-14(4-6-16)15-7-9-17(10-8-15)33-24(26,27)28/h3-12,31H,1-2H3.
What are the key properties of 6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one?
6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one has a molecular weight of 475.85 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one is sourced from PubChem (CID 170432119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).