5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one

C22H13F5N2O2 — CID 67616120

IUPAC5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(F)cc(F)c2c1=O
InChIInChI=1S/C22H13F5N2O2/c1-11-20(29-18-9-14(23)8-16(24)19(18)21(11)30)13-4-7-17(28-10-13)12-2-5-15(6-3-12)31-22(25,26)27/h2-10H,1H3,(H,29,30)
InChIKeyTZARZHPLTLKOFL-UHFFFAOYSA-N
MW432.35 g/mol
LogP5.74
Rot. Bonds3

About 5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one

5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one (PubChem CID 67616120) has the molecular formula C22H13F5N2O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
PubChem CID67616120
Molecular FormulaC22H13F5N2O2
Molecular Weight432.35 g/mol
Exact Mass432.09
IUPAC Name5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(F)cc(F)c2c1=O
InChIInChI=1S/C22H13F5N2O2/c1-11-20(29-18-9-14(23)8-16(24)19(18)21(11)30)13-4-7-17(28-10-13)12-2-5-15(6-3-12)31-22(25,26)27/h2-10H,1H3,(H,29,30)
InChIKeyTZARZHPLTLKOFL-UHFFFAOYSA-N
XLogP5.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The IUPAC name of 5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one (CID 67616120) is 5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one.
What is the SMILES notation for 5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The canonical SMILES for 5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one is Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(F)cc(F)c2c1=O.
What is the InChIKey of 5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The InChIKey is TZARZHPLTLKOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F5N2O2/c1-11-20(29-18-9-14(23)8-16(24)19(18)21(11)30)13-4-7-17(28-10-13)12-2-5-15(6-3-12)31-22(25,26)27/h2-10H,1H3,(H,29,30).
What are the key properties of 5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one has a molecular weight of 432.35 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one is sourced from PubChem (CID 67616120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).