6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one

C22H18F3N3O3 — CID 118224751

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one
SMILESCOc1cc2c(ccc(=O)n2Cc2ccc(C(F)(F)F)cn2)cc1-c1c(C)noc1C
InChIInChI=1S/C22H18F3N3O3/c1-12-21(13(2)31-27-12)17-8-14-4-7-20(29)28(18(14)9-19(17)30-3)11-16-6-5-15(10-26-16)22(23,24)25/h4-10H,11H2,1-3H3
InChIKeyPJPGHCWTFMIYNV-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.74
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one (PubChem CID 118224751) has the molecular formula C22H18F3N3O3 and a molecular weight of 429.40 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one
PubChem CID118224751
Molecular FormulaC22H18F3N3O3
Molecular Weight429.40 g/mol
Exact Mass429.13
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one
SMILESCOc1cc2c(ccc(=O)n2Cc2ccc(C(F)(F)F)cn2)cc1-c1c(C)noc1C
InChIInChI=1S/C22H18F3N3O3/c1-12-21(13(2)31-27-12)17-8-14-4-7-20(29)28(18(14)9-19(17)30-3)11-16-6-5-15(10-26-16)22(23,24)25/h4-10H,11H2,1-3H3
InChIKeyPJPGHCWTFMIYNV-UHFFFAOYSA-N
XLogP4.74
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one (CID 118224751) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one is COc1cc2c(ccc(=O)n2Cc2ccc(C(F)(F)F)cn2)cc1-c1c(C)noc1C.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one?
The InChIKey is PJPGHCWTFMIYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3/c1-12-21(13(2)31-27-12)17-8-14-4-7-20(29)28(18(14)9-19(17)30-3)11-16-6-5-15(10-26-16)22(23,24)25/h4-10H,11H2,1-3H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one has a molecular weight of 429.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-one is sourced from PubChem (CID 118224751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).