3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one

C23H15ClF3NO2 — CID 67617538

IUPAC3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
SMILESO=c1c(Cl)c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H15ClF3NO2/c24-20-21(28-19-4-2-1-3-18(19)22(20)29)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)30-23(25,26)27/h1-12H,13H2,(H,28,29)
InChIKeyJUOYHJPAYQNMCS-UHFFFAOYSA-N
MW429.83 g/mol
LogP6.34
Rot. Bonds4

About 3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one

3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one (PubChem CID 67617538) has the molecular formula C23H15ClF3NO2 and a molecular weight of 429.83 g/mol. Its IUPAC name is 3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
PubChem CID67617538
Molecular FormulaC23H15ClF3NO2
Molecular Weight429.83 g/mol
Exact Mass429.07
IUPAC Name3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
SMILESO=c1c(Cl)c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H15ClF3NO2/c24-20-21(28-19-4-2-1-3-18(19)22(20)29)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)30-23(25,26)27/h1-12H,13H2,(H,28,29)
InChIKeyJUOYHJPAYQNMCS-UHFFFAOYSA-N
XLogP6.34
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.83
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[3-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
CID 67617590
3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one
CID 70694151
ethyl 4-oxo-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinoline-3-carboxylate
CID 67607592
ethyl 7-chloro-4-oxo-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinoline-3-carboxylate
CID 67607696
ethyl 4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinoline-3-carboxylate
CID 67889905
3-methyl-2-[3-methyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-2-yl]-1H-quinolin-4-one
CID 165401292
4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one
CID 54696598
3-chloro-2-[(dimethylamino)methyl]-6-methyl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one
CID 56683755
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
CID 170391358
ethyl 2-[4-(trifluoromethoxy)phenoxy]-1H-indole-3-carboxylate
CID 159808887
2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 67458560

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one?
The IUPAC name of 3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one (CID 67617538) is 3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one?
The canonical SMILES for 3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one is O=c1c(Cl)c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccccc12.
What is the InChIKey of 3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one?
The InChIKey is JUOYHJPAYQNMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3NO2/c24-20-21(28-19-4-2-1-3-18(19)22(20)29)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)30-23(25,26)27/h1-12H,13H2,(H,28,29).
What are the key properties of 3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one?
3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one has a molecular weight of 429.83 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 67617538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).