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

C21H19F3N4O2 — CID 163383641

IUPAC4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C21H19F3N4O2/c1-2-28(9-14-5-4-13(8-26-14)21(22,23)24)20(29)12-3-6-18-15(7-12)16-10-30-11-17(16)19(25)27-18/h3-8H,2,9-11H2,1H3,(H2,25,27)
InChIKeyIFXDRCBDKHSVIN-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.92
Rot. Bonds4

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

4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163383641) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID163383641
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C21H19F3N4O2/c1-2-28(9-14-5-4-13(8-26-14)21(22,23)24)20(29)12-3-6-18-15(7-12)16-10-30-11-17(16)19(25)27-18/h3-8H,2,9-11H2,1H3,(H2,25,27)
InChIKeyIFXDRCBDKHSVIN-UHFFFAOYSA-N
XLogP3.92
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163383641) is 4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CCN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3.
What is the InChIKey of 4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is IFXDRCBDKHSVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-2-28(9-14-5-4-13(8-26-14)21(22,23)24)20(29)12-3-6-18-15(7-12)16-10-30-11-17(16)19(25)27-18/h3-8H,2,9-11H2,1H3,(H2,25,27).
What are the key properties of 4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).