6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide

C22H16F3N5O — CID 127035423

IUPAC6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3ccc(N)nc3)cc2c1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3N5O/c23-22(24,25)14-2-1-3-15(9-14)30-20-16-8-12(13-5-7-19(26)29-10-13)4-6-18(16)28-11-17(20)21(27)31/h1-11H,(H2,26,29)(H2,27,31)(H,28,30)
InChIKeyLHVYWOKFKJOYJF-UHFFFAOYSA-N
MW423.40 g/mol
LogP4.74
Rot. Bonds4

About 6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide

6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide (PubChem CID 127035423) has the molecular formula C22H16F3N5O and a molecular weight of 423.40 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide
PubChem CID127035423
Molecular FormulaC22H16F3N5O
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC Name6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3ccc(N)nc3)cc2c1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3N5O/c23-22(24,25)14-2-1-3-15(9-14)30-20-16-8-12(13-5-7-19(26)29-10-13)4-6-18(16)28-11-17(20)21(27)31/h1-11H,(H2,26,29)(H2,27,31)(H,28,30)
InChIKeyLHVYWOKFKJOYJF-UHFFFAOYSA-N
XLogP4.74
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide?
The IUPAC name of 6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide (CID 127035423) is 6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide is NC(=O)c1cnc2ccc(-c3ccc(N)nc3)cc2c1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide?
The InChIKey is LHVYWOKFKJOYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O/c23-22(24,25)14-2-1-3-15(9-14)30-20-16-8-12(13-5-7-19(26)29-10-13)4-6-18(16)28-11-17(20)21(27)31/h1-11H,(H2,26,29)(H2,27,31)(H,28,30).
What are the key properties of 6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide?
6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide is sourced from PubChem (CID 127035423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).