1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

C23H20F3N3O2 — CID 78324618

IUPAC1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1cc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O2/c1-14-7-20(23(24,25)26)28-21(8-14)31-13-15-9-18(12-27-11-15)16-3-5-19-17(10-16)4-6-22(30)29(19)2/h3,5,7-12H,4,6,13H2,1-2H3
InChIKeyWVNUMDASPFGBMK-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.96
Rot. Bonds4

About 1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 78324618) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID78324618
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1cc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O2/c1-14-7-20(23(24,25)26)28-21(8-14)31-13-15-9-18(12-27-11-15)16-3-5-19-17(10-16)4-6-22(30)29(19)2/h3,5,7-12H,4,6,13H2,1-2H3
InChIKeyWVNUMDASPFGBMK-UHFFFAOYSA-N
XLogP4.96
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 78324618) is 1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is Cc1cc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)nc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is WVNUMDASPFGBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c1-14-7-20(23(24,25)26)28-21(8-14)31-13-15-9-18(12-27-11-15)16-3-5-19-17(10-16)4-6-22(30)29(19)2/h3,5,7-12H,4,6,13H2,1-2H3.
What are the key properties of 1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 427.43 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[[4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 78324618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).