2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane

C24H27F3N4O3 — CID 156830311

IUPAC2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane
SMILESCOC1CCCOC1.Cc1cc2cc(C(=O)NCc3ccc(C(F)(F)F)cn3)ccc2nc1N
InChIInChI=1S/C18H15F3N4O.C6H12O2/c1-10-6-12-7-11(2-5-15(12)25-16(10)22)17(26)24-9-14-4-3-13(8-23-14)18(19,20)21;1-7-6-3-2-4-8-5-6/h2-8H,9H2,1H3,(H2,22,25)(H,24,26);6H,2-5H2,1H3
InChIKeyUDRHWWLNXWYNHO-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.28
Rot. Bonds4

About 2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane

2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane (PubChem CID 156830311) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane.

Molecular Properties

Compound Name2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane
PubChem CID156830311
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC Name2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane
SMILESCOC1CCCOC1.Cc1cc2cc(C(=O)NCc3ccc(C(F)(F)F)cn3)ccc2nc1N
InChIInChI=1S/C18H15F3N4O.C6H12O2/c1-10-6-12-7-11(2-5-15(12)25-16(10)22)17(26)24-9-14-4-3-13(8-23-14)18(19,20)21;1-7-6-3-2-4-8-5-6/h2-8H,9H2,1H3,(H2,22,25)(H,24,26);6H,2-5H2,1H3
InChIKeyUDRHWWLNXWYNHO-UHFFFAOYSA-N
XLogP4.28
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane with MolForge

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Related Compounds

N-(6-{2-[2-(2-Amino-3-{3-[(3,3-Dimethylbutyl)amino]-3-Oxopropyl}quinolin-6-Yl)phenyl]ethyl}pyridin-3-Yl)-4-Fluorobenzamide
CID 118797905
2-amino-3-methyl-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830625
2-amino-N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830880
Piperazine, 1-(2-pyridinyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
CID 3055244
Prmt5-IN-25
CID 156830143
N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 3213301
2-[(2-ethylphenyl)amino]-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 16194439
2-fluoro-N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
CID 71584543
6-(6-Amino-3-pyridinyl)-4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]quinoline-3-carboxamide
CID 127035335
6-(6-Amino-3-pyridinyl)-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxamide
CID 127035423
US10023557, Example 121
CID 118212359
US10023557, Example 122
CID 118212621

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane?
The IUPAC name of 2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane (CID 156830311) is 2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane.
What is the SMILES notation for 2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane?
The canonical SMILES for 2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane is COC1CCCOC1.Cc1cc2cc(C(=O)NCc3ccc(C(F)(F)F)cn3)ccc2nc1N.
What is the InChIKey of 2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane?
The InChIKey is UDRHWWLNXWYNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O.C6H12O2/c1-10-6-12-7-11(2-5-15(12)25-16(10)22)17(26)24-9-14-4-3-13(8-23-14)18(19,20)21;1-7-6-3-2-4-8-5-6/h2-8H,9H2,1H3,(H2,22,25)(H,24,26);6H,2-5H2,1H3.
What are the key properties of 2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane?
2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane has a molecular weight of 476.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide;3-methoxyoxane is sourced from PubChem (CID 156830311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).