4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C19H14F4N4O2 — CID 167085267

IUPAC4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESNc1nc2cc(F)c(C(=O)NCc3ccc(C(F)(F)F)cn3)cc2c2c1COC2
InChIInChI=1S/C19H14F4N4O2/c20-15-4-16-11(13-7-29-8-14(13)17(24)27-16)3-12(15)18(28)26-6-10-2-1-9(5-25-10)19(21,22)23/h1-5H,6-8H2,(H2,24,27)(H,26,28)
InChIKeyVYJOTUCJNLPVMO-UHFFFAOYSA-N
MW406.34 g/mol
LogP3.33
Rot. Bonds3

About 4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 167085267) has the molecular formula C19H14F4N4O2 and a molecular weight of 406.34 g/mol. Its IUPAC name is 4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID167085267
Molecular FormulaC19H14F4N4O2
Molecular Weight406.34 g/mol
Exact Mass406.11
IUPAC Name4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESNc1nc2cc(F)c(C(=O)NCc3ccc(C(F)(F)F)cn3)cc2c2c1COC2
InChIInChI=1S/C19H14F4N4O2/c20-15-4-16-11(13-7-29-8-14(13)17(24)27-16)3-12(15)18(28)26-6-10-2-1-9(5-25-10)19(21,22)23/h1-5H,6-8H2,(H2,24,27)(H,26,28)
InChIKeyVYJOTUCJNLPVMO-UHFFFAOYSA-N
XLogP3.33
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102330
4-amino-7-chloro-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383659
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 167121916
4-amino-N-(2,2-difluoropropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383424
4-amino-N-(2,2-dimethylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383203
4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxylic acid
CID 163383514
4-amino-7-chloro-N-propan-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 175487771
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4R)-3,3-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 164798821
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
4-amino-N-cyclopropyl-7-fluoro-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867438
4-amino-N-[(1S)-1-cyclopropylethyl]-7-fluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383375
4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382984

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 167085267) is 4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is Nc1nc2cc(F)c(C(=O)NCc3ccc(C(F)(F)F)cn3)cc2c2c1COC2.
What is the InChIKey of 4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is VYJOTUCJNLPVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O2/c20-15-4-16-11(13-7-29-8-14(13)17(24)27-16)3-12(15)18(28)26-6-10-2-1-9(5-25-10)19(21,22)23/h1-5H,6-8H2,(H2,24,27)(H,26,28).
What are the key properties of 4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 406.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 167085267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).