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

C25H25F3N4O4 — CID 167085268

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

4-amino-N-[(3S,4R)-3-methoxyoxan-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 167085268) has the molecular formula C25H25F3N4O4 and a molecular weight of 502.49 g/mol. Its IUPAC name is 4-amino-N-[(3S,4R)-3-methoxyoxan-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-[(3S,4R)-3-methoxyoxan-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• PubChem CID: 167085268
• Molecular Formula: C25H25F3N4O4
• Molecular Weight: 502.49 g/mol
• Exact Mass: 502.18
• IUPAC Name: 4-amino-N-[(3S,4R)-3-methoxyoxan-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
• SMILES: CO[C@@H]1COCC[C@H]1N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
• InChI: InChI=1S/C25H25F3N4O4/c1-34-22-13-35-7-6-21(22)32(10-16-4-3-15(9-30-16)25(26,27)28)24(33)14-2-5-20-17(8-14)18-11-36-12-19(18)23(29)31-20/h2-5,8-9,21-22H,6-7,10-13H2,1H3,(H2,29,31)/t21-,22-/m1/s1
• InChIKey: UTWUMHSKCRKLNP-FGZHOGPDSA-N
• XLogP: 3.71
• TPSA: 99.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.49
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-amino-N-[(3S,4R)-3-methoxyoxan-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 167085268) is 4-amino-N-[(3S,4R)-3-methoxyoxan-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

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

The canonical SMILES for 4-amino-N-[(3S,4R)-3-methoxyoxan-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CO[C@@H]1COCC[C@H]1N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3.

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

The InChIKey is UTWUMHSKCRKLNP-FGZHOGPDSA-N. The full InChI is InChI=1S/C25H25F3N4O4/c1-34-22-13-35-7-6-21(22)32(10-16-4-3-15(9-30-16)25(26,27)28)24(33)14-2-5-20-17(8-14)18-11-36-12-19(18)23(29)31-20/h2-5,8-9,21-22H,6-7,10-13H2,1H3,(H2,29,31)/t21-,22-/m1/s1.

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

4-amino-N-[(3S,4R)-3-methoxyoxan-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 502.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[(3S,4R)-3-methoxyoxan-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 167085268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).