6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one

C22H15F3N2O3 — CID 67616129

IUPAC6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccc(O)cc2c1=O
InChIInChI=1S/C22H15F3N2O3/c1-12-20(27-19-9-5-15(28)10-17(19)21(12)29)14-4-8-18(26-11-14)13-2-6-16(7-3-13)30-22(23,24)25/h2-11,28H,1H3,(H,27,29)
InChIKeyDKTGTRLZGFFKCI-UHFFFAOYSA-N
MW412.37 g/mol
LogP5.17
Rot. Bonds3

About 6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one

6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one (PubChem CID 67616129) has the molecular formula C22H15F3N2O3 and a molecular weight of 412.37 g/mol. Its IUPAC name is 6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
PubChem CID67616129
Molecular FormulaC22H15F3N2O3
Molecular Weight412.37 g/mol
Exact Mass412.10
IUPAC Name6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccc(O)cc2c1=O
InChIInChI=1S/C22H15F3N2O3/c1-12-20(27-19-9-5-15(28)10-17(19)21(12)29)14-4-8-18(26-11-14)13-2-6-16(7-3-13)30-22(23,24)25/h2-11,28H,1H3,(H,27,29)
InChIKeyDKTGTRLZGFFKCI-UHFFFAOYSA-N
XLogP5.17
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.37
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The IUPAC name of 6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one (CID 67616129) is 6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The canonical SMILES for 6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one is Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccc(O)cc2c1=O.
What is the InChIKey of 6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The InChIKey is DKTGTRLZGFFKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O3/c1-12-20(27-19-9-5-15(28)10-17(19)21(12)29)14-4-8-18(26-11-14)13-2-6-16(7-3-13)30-22(23,24)25/h2-11,28H,1H3,(H,27,29).
What are the key properties of 6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one has a molecular weight of 412.37 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one is sourced from PubChem (CID 67616129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).