4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide

C19H15F4N3O — CID 122185970

IUPAC4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2F)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C19H15F4N3O/c1-10-8-15(12-5-3-6-13(18(24)27)17(12)26-10)25-9-11-4-2-7-14(16(11)20)19(21,22)23/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)
InChIKeyFJDURJGFJYLLGJ-UHFFFAOYSA-N
MW377.34 g/mol
LogP4.41
Rot. Bonds4

About 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide

4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide (PubChem CID 122185970) has the molecular formula C19H15F4N3O and a molecular weight of 377.34 g/mol. Its IUPAC name is 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide.

Molecular Properties

Compound Name4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide
PubChem CID122185970
Molecular FormulaC19H15F4N3O
Molecular Weight377.34 g/mol
Exact Mass377.12
IUPAC Name4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2F)c2cccc(C(N)=O)c2n1
InChIInChI=1S/C19H15F4N3O/c1-10-8-15(12-5-3-6-13(18(24)27)17(12)26-10)25-9-11-4-2-7-14(16(11)20)19(21,22)23/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)
InChIKeyFJDURJGFJYLLGJ-UHFFFAOYSA-N
XLogP4.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
SB 222200
CID 6604009
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
Gsk 172981
CID 25195091
1-(4-Amino-2-methylquinolin-3-yl)ethanone
CID 672297
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
SN-28049
CID 9862688
Acetophenone, 4'-(9-acridinylamino)-
CID 51972
4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline
CID 10024412
N-((4-dimethylamino)butyl)-9-aminoacridine-4-carboxamide
CID 124660
9-Amino-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide
CID 128962
2-Methylquinoline-8-carboxamide
CID 21195867

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide?
The IUPAC name of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide (CID 122185970) is 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide.
What is the SMILES notation for 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide?
The canonical SMILES for 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide is Cc1cc(NCc2cccc(C(F)(F)F)c2F)c2cccc(C(N)=O)c2n1.
What is the InChIKey of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide?
The InChIKey is FJDURJGFJYLLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O/c1-10-8-15(12-5-3-6-13(18(24)27)17(12)26-10)25-9-11-4-2-7-14(16(11)20)19(21,22)23/h2-8H,9H2,1H3,(H2,24,27)(H,25,26).
What are the key properties of 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide?
4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide has a molecular weight of 377.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide is sourced from PubChem (CID 122185970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).