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

C21H14F3N3O — CID 67615767

IUPAC3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(C(F)(F)F)nc3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H14F3N3O/c1-12-19(27-17-5-3-2-4-15(17)20(12)28)14-6-8-16(25-11-14)13-7-9-18(26-10-13)21(22,23)24/h2-11H,1H3,(H,27,28)
InChIKeyRFTQRYAYRQIHGA-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.98
Rot. Bonds2

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

3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one (PubChem CID 67615767) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one
PubChem CID67615767
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(C(F)(F)F)nc3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H14F3N3O/c1-12-19(27-17-5-3-2-4-15(17)20(12)28)14-6-8-16(25-11-14)13-7-9-18(26-10-13)21(22,23)24/h2-11H,1H3,(H,27,28)
InChIKeyRFTQRYAYRQIHGA-UHFFFAOYSA-N
XLogP4.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one (CID 67615767) is 3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one is Cc1c(-c2ccc(-c3ccc(C(F)(F)F)nc3)nc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one?
The InChIKey is RFTQRYAYRQIHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c1-12-19(27-17-5-3-2-4-15(17)20(12)28)14-6-8-16(25-11-14)13-7-9-18(26-10-13)21(22,23)24/h2-11H,1H3,(H,27,28).
What are the key properties of 3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one?
3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one has a molecular weight of 381.36 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-1H-quinolin-4-one is sourced from PubChem (CID 67615767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).