(3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C23H20F6N4O3 — CID 163382679

About (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163382679) has the molecular formula C23H20F6N4O3 and a molecular weight of 514.43 g/mol. Its IUPAC name is (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• PubChem CID: 163382679
• Molecular Formula: C23H20F6N4O3
• Molecular Weight: 514.43 g/mol
• Exact Mass: 514.14
• IUPAC Name: (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• SMILES: C[C@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C[C@@H](O)C(F)(F)F)cc21
• InChI: InChI=1S/C23H20F6N4O3/c1-11-19-16(10-36-11)15-6-12(2-5-17(15)32-20(19)30)21(35)33(9-18(34)23(27,28)29)8-14-4-3-13(7-31-14)22(24,25)26/h2-7,11,18,34H,8-10H2,1H3,(H2,30,32)/t11-,18-/m1/s1
• InChIKey: XXPYFSDCKRVEEZ-ADLMAVQZSA-N
• XLogP: 4.39
• TPSA: 101.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.43
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The IUPAC name of (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163382679) is (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

What is the SMILES notation for (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The canonical SMILES for (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is C[C@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C[C@@H](O)C(F)(F)F)cc21.

What is the InChIKey of (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

The InChIKey is XXPYFSDCKRVEEZ-ADLMAVQZSA-N. The full InChI is InChI=1S/C23H20F6N4O3/c1-11-19-16(10-36-11)15-6-12(2-5-17(15)32-20(19)30)21(35)33(9-18(34)23(27,28)29)8-14-4-3-13(7-31-14)22(24,25)26/h2-7,11,18,34H,8-10H2,1H3,(H2,30,32)/t11-,18-/m1/s1.

What are the key properties of (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?

(3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 514.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-amino-3-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).