2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide

C18H15F3N4O — CID 122185982

IUPAC2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide
SMILESCc1cc(NCc2ncccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C18H15F3N4O/c1-10-8-14(11-4-2-5-12(17(22)26)16(11)25-10)24-9-15-13(18(19,20)21)6-3-7-23-15/h2-8H,9H2,1H3,(H2,22,26)(H,24,25)
InChIKeyPMZBBAAKFFFMEV-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.67
Rot. Bonds4

About 2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide

2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide (PubChem CID 122185982) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide
PubChem CID122185982
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide
SMILESCc1cc(NCc2ncccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C18H15F3N4O/c1-10-8-14(11-4-2-5-12(17(22)26)16(11)25-10)24-9-15-13(18(19,20)21)6-3-7-23-15/h2-8H,9H2,1H3,(H2,22,26)(H,24,25)
InChIKeyPMZBBAAKFFFMEV-UHFFFAOYSA-N
XLogP3.67
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide?
The IUPAC name of 2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide (CID 122185982) is 2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide.
What is the SMILES notation for 2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide?
The canonical SMILES for 2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide is Cc1cc(NCc2ncccc2C(F)(F)F)c2cccc(C(N)=O)c2n1.
What is the InChIKey of 2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide?
The InChIKey is PMZBBAAKFFFMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-10-8-14(11-4-2-5-12(17(22)26)16(11)25-10)24-9-15-13(18(19,20)21)6-3-7-23-15/h2-8H,9H2,1H3,(H2,22,26)(H,24,25).
What are the key properties of 2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide?
2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]quinoline-8-carboxamide is sourced from PubChem (CID 122185982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).