2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

C17H12F3N3O — CID 118986422

IUPAC2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESNc1nc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)11-5-3-6-12(9-11)22-16(24)13-8-10-4-1-2-7-14(10)23-15(13)21/h1-9H,(H2,21,23)(H,22,24)
InChIKeyKWAUFDAWJMJKMP-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.09
Rot. Bonds2

About 2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 118986422) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID118986422
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESNc1nc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)11-5-3-6-12(9-11)22-16(24)13-8-10-4-1-2-7-14(10)23-15(13)21/h1-9H,(H2,21,23)(H,22,24)
InChIKeyKWAUFDAWJMJKMP-UHFFFAOYSA-N
XLogP4.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121356240
3-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 105071549
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
2-amino-5-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 114921483
1-(2-methylquinolin-3-yl)ethanone;3-(trifluoromethyl)aniline
CID 21227373
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81240010
2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 3514997
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648982

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 118986422) is 2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is Nc1nc2ccccc2cc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is KWAUFDAWJMJKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)11-5-3-6-12(9-11)22-16(24)13-8-10-4-1-2-7-14(10)23-15(13)21/h1-9H,(H2,21,23)(H,22,24).
What are the key properties of 2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 331.30 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 118986422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).