6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one

C22H18F3N3O3 — CID 118224644

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)c(C(F)(F)F)cc(=O)n2Cc1ccccn1
InChIInChI=1S/C22H18F3N3O3/c1-12-21(13(2)31-27-12)16-8-15-17(22(23,24)25)9-20(29)28(18(15)10-19(16)30-3)11-14-6-4-5-7-26-14/h4-10H,11H2,1-3H3
InChIKeyPOGQAXXNQSUIBZ-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.74
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one (PubChem CID 118224644) 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-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
PubChem CID118224644
Molecular FormulaC22H18F3N3O3
Molecular Weight429.40 g/mol
Exact Mass429.13
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)c(C(F)(F)F)cc(=O)n2Cc1ccccn1
InChIInChI=1S/C22H18F3N3O3/c1-12-21(13(2)31-27-12)16-8-15-17(22(23,24)25)9-20(29)28(18(15)10-19(16)30-3)11-14-6-4-5-7-26-14/h4-10H,11H2,1-3H3
InChIKeyPOGQAXXNQSUIBZ-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

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one with MolForge

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Related Compounds

Odm-207
CID 118224658
Scio-323
CID 10288822
1-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139350552
3-(3-methoxyphenyl)-N,5-dimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxamide
CID 76318386
5-cyclopropyl-3-(3-methoxyphenyl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxamide
CID 76318387
5-ethyl-3-(3-methoxyphenyl)-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole-4-carboxamide
CID 76336516
6-methoxy-1-methyl-N-pyridin-3-yl-5-(trifluoromethyl)indole-3-carboxamide
CID 44213180
7-methoxy-3-methyl-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-1H-quinolin-4-one
CID 127038425
5-[5-[2,6-Dimethyl-4-(2-pyridyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 15954769
5-[5-[2,6-Dimethyl-4-(3-pyridyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 15954777
US10399991, Example 56
CID 122537772
4-(2-Methoxyphenyl)-5-quinolin-4-yl-1,2-oxazole
CID 177661339

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one (CID 118224644) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)c(C(F)(F)F)cc(=O)n2Cc1ccccn1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is POGQAXXNQSUIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3/c1-12-21(13(2)31-27-12)16-8-15-17(22(23,24)25)9-20(29)28(18(15)10-19(16)30-3)11-14-6-4-5-7-26-14/h4-10H,11H2,1-3H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-4-(trifluoromethyl)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-(pyridin-2-ylmethyl)-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 118224644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).