6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one

C24H16ClF4NO2 — CID 170432317

IUPAC6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccc(-c4ccc(C(F)(F)F)cc4F)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C24H16ClF4NO2/c1-12-22(23(31)17-10-18(25)21(32-2)11-20(17)30-12)14-5-3-13(4-6-14)16-8-7-15(9-19(16)26)24(27,28)29/h3-11H,1-2H3,(H,30,31)
InChIKeyBXNHVQLONHKZOB-UHFFFAOYSA-N
MW461.84 g/mol
LogP6.99
Rot. Bonds3

About 6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one

6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one (PubChem CID 170432317) has the molecular formula C24H16ClF4NO2 and a molecular weight of 461.84 g/mol. Its IUPAC name is 6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
PubChem CID170432317
Molecular FormulaC24H16ClF4NO2
Molecular Weight461.84 g/mol
Exact Mass461.08
IUPAC Name6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccc(-c4ccc(C(F)(F)F)cc4F)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C24H16ClF4NO2/c1-12-22(23(31)17-10-18(25)21(32-2)11-20(17)30-12)14-5-3-13(4-6-14)16-8-7-15(9-19(16)26)24(27,28)29/h3-11H,1-2H3,(H,30,31)
InChIKeyBXNHVQLONHKZOB-UHFFFAOYSA-N
XLogP6.99
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.84
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one with MolForge

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Related Compounds

Elq-300
CID 67016608
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1H)-one
CID 56965336
6-chloro-3-heptyl-7-methoxy-2-methyl-1H-quinolin-4-one
CID 49781247
6-fluoro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one
CID 86573311
ethyl 2-[3-(2-chlorophenyl)phenyl]-6-fluoro-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71457000
6-chloro-7-methoxy-2-methyl-3-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one
CID 90676094
6-chloro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1H-quinolin-4-one
CID 90676095
6-chloro-3-[4-(4-fluorophenoxy)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
CID 90676097
6-chloro-3-[4-[4-fluoro-3-(trifluoromethoxy)phenoxy]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
CID 90676098
2-Methyl-3-[2-methyl-4-[4-(trifluoromethoxy)phenoxy]phenyl]-6-chloro-7-methoxy-4(1H)-quinolinone
CID 101882804
6-chloro-7-methoxy-2-methyl-3-[4-(phenoxymethyl)phenyl]-1H-quinolin-4-one
CID 118724946
6-chloro-7-methoxy-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-1H-quinolin-4-one
CID 118724958

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one (CID 170432317) is 6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one is COc1cc2[nH]c(C)c(-c3ccc(-c4ccc(C(F)(F)F)cc4F)cc3)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is BXNHVQLONHKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF4NO2/c1-12-22(23(31)17-10-18(25)21(32-2)11-20(17)30-12)14-5-3-13(4-6-14)16-8-7-15(9-19(16)26)24(27,28)29/h3-11H,1-2H3,(H,30,31).
What are the key properties of 6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 461.84 g/mol, XLogP of 6.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 170432317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).