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

C22H15F3N2O — CID 70692119

IUPAC3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H15F3N2O/c1-13-20(27-19-5-3-2-4-17(19)21(13)28)15-8-11-18(26-12-15)14-6-9-16(10-7-14)22(23,24)25/h2-12H,1H3,(H,27,28)
InChIKeyRVRMLIGZXLLKDU-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.58
Rot. Bonds2

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

3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one (PubChem CID 70692119) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one
PubChem CID70692119
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H15F3N2O/c1-13-20(27-19-5-3-2-4-17(19)21(13)28)15-8-11-18(26-12-15)14-6-9-16(10-7-14)22(23,24)25/h2-12H,1H3,(H,27,28)
InChIKeyRVRMLIGZXLLKDU-UHFFFAOYSA-N
XLogP5.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one (CID 70692119) is 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one is Cc1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
The InChIKey is RVRMLIGZXLLKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c1-13-20(27-19-5-3-2-4-17(19)21(13)28)15-8-11-18(26-12-15)14-6-9-16(10-7-14)22(23,24)25/h2-12H,1H3,(H,27,28).
What are the key properties of 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one?
3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one has a molecular weight of 380.37 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-quinolin-4-one is sourced from PubChem (CID 70692119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).