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

C12H9ClF3NO2 — CID 107622842

IUPAC6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C(F)(F)F)c(C)c(=O)c2cc1Cl
InChIInChI=1S/C12H9ClF3NO2/c1-5-10(18)6-3-7(13)9(19-2)4-8(6)17-11(5)12(14,15)16/h3-4H,1-2H3,(H,17,18)
InChIKeyDUEOFKGNCSAIBP-UHFFFAOYSA-N
MW291.66 g/mol
LogP3.52
Rot. Bonds1

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

6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 107622842) has the molecular formula C12H9ClF3NO2 and a molecular weight of 291.66 g/mol. Its IUPAC name is 6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID107622842
Molecular FormulaC12H9ClF3NO2
Molecular Weight291.66 g/mol
Exact Mass291.03
IUPAC Name6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C(F)(F)F)c(C)c(=O)c2cc1Cl
InChIInChI=1S/C12H9ClF3NO2/c1-5-10(18)6-3-7(13)9(19-2)4-8(6)17-11(5)12(14,15)16/h3-4H,1-2H3,(H,17,18)
InChIKeyDUEOFKGNCSAIBP-UHFFFAOYSA-N
XLogP3.52
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
CID 170432317
6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
CID 118724937
6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 63743884
6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one
CID 118724924
3-chloro-2-methoxy-6-methyl-9H-carbazole
CID 155477341
6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one
CID 134910353
4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide
CID 118724938
1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine
CID 84629248
5-chloro-6-methyl-2-(trifluoromethyl)-1H-indole-3-carbonitrile
CID 162547026
3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 63742357
6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 134987165
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (CID 107622842) is 6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is COc1cc2[nH]c(C(F)(F)F)c(C)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is DUEOFKGNCSAIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO2/c1-5-10(18)6-3-7(13)9(19-2)4-8(6)17-11(5)12(14,15)16/h3-4H,1-2H3,(H,17,18).
What are the key properties of 6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 291.66 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 107622842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).