4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one

C18H13ClF3NO3 — CID 174428027

IUPAC4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1cc(-c2c(CO)c(=O)[nH]c3cc(C(F)(F)F)ccc23)ccc1Cl
InChIInChI=1S/C18H13ClF3NO3/c1-26-15-6-9(2-5-13(15)19)16-11-4-3-10(18(20,21)22)7-14(11)23-17(25)12(16)8-24/h2-7,24H,8H2,1H3,(H,23,25)
InChIKeyLBCYORNCPZPPFL-UHFFFAOYSA-N
MW383.75 g/mol
LogP4.37
Rot. Bonds3

About 4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one

4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 174428027) has the molecular formula C18H13ClF3NO3 and a molecular weight of 383.75 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID174428027
Molecular FormulaC18H13ClF3NO3
Molecular Weight383.75 g/mol
Exact Mass383.05
IUPAC Name4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one
SMILESCOc1cc(-c2c(CO)c(=O)[nH]c3cc(C(F)(F)F)ccc23)ccc1Cl
InChIInChI=1S/C18H13ClF3NO3/c1-26-15-6-9(2-5-13(15)19)16-11-4-3-10(18(20,21)22)7-14(11)23-17(25)12(16)8-24/h2-7,24H,8H2,1H3,(H,23,25)
InChIKeyLBCYORNCPZPPFL-UHFFFAOYSA-N
XLogP4.37
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.75
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
CID 170432317
methyl 6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylate
CID 155519157
3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole
CID 141083856
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
4-(5-chloro-2-methoxyphenyl)-3-[(E)-3-hydroxyprop-1-enyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 58805410
3-(4-chloro-3-methoxyphenyl)-3,3-difluoropropanal
CID 142387180
3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 121236449
2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
CID 79712096
methyl 6-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylate
CID 135386772
methyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 22017497
1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
CID 118811160
1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one (CID 174428027) is 4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one is COc1cc(-c2c(CO)c(=O)[nH]c3cc(C(F)(F)F)ccc23)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is LBCYORNCPZPPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3NO3/c1-26-15-6-9(2-5-13(15)19)16-11-4-3-10(18(20,21)22)7-14(11)23-17(25)12(16)8-24/h2-7,24H,8H2,1H3,(H,23,25).
What are the key properties of 4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one?
4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 383.75 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 174428027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).