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

C19H16F3N3O — CID 122185954

IUPAC2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide
SMILESCc1cc(NCc2ccccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C19H16F3N3O/c1-11-9-16(13-6-4-7-14(18(23)26)17(13)25-11)24-10-12-5-2-3-8-15(12)19(20,21)22/h2-9H,10H2,1H3,(H2,23,26)(H,24,25)
InChIKeyGYCQQTSTDOHQQT-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.27
Rot. Bonds4

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

2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide (PubChem CID 122185954) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide
PubChem CID122185954
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide
SMILESCc1cc(NCc2ccccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C19H16F3N3O/c1-11-9-16(13-6-4-7-14(18(23)26)17(13)25-11)24-10-12-5-2-3-8-15(12)19(20,21)22/h2-9H,10H2,1H3,(H2,23,26)(H,24,25)
InChIKeyGYCQQTSTDOHQQT-UHFFFAOYSA-N
XLogP4.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide?
The IUPAC name of 2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide (CID 122185954) is 2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide.
What is the SMILES notation for 2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide?
The canonical SMILES for 2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide is Cc1cc(NCc2ccccc2C(F)(F)F)c2cccc(C(N)=O)c2n1.
What is the InChIKey of 2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide?
The InChIKey is GYCQQTSTDOHQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-11-9-16(13-6-4-7-14(18(23)26)17(13)25-11)24-10-12-5-2-3-8-15(12)19(20,21)22/h2-9H,10H2,1H3,(H2,23,26)(H,24,25).
What are the key properties of 2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide?
2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-8-carboxamide is sourced from PubChem (CID 122185954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).