4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C21H19F4N5O2 — CID 163383092

IUPAC4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCN(C(=O)c1cc2c3c(c(N)nc2cc1F)COC3)[C@H](C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C21H19F4N5O2/c1-3-30(10(2)16-4-5-18(29-28-16)21(23,24)25)20(31)12-6-11-13-8-32-9-14(13)19(26)27-17(11)7-15(12)22/h4-7,10H,3,8-9H2,1-2H3,(H2,26,27)/t10-/m1/s1
InChIKeyQZLXIVBGVFOLPI-SNVBAGLBSA-N
MW449.41 g/mol
LogP4.02
Rot. Bonds4

About 4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163383092) has the molecular formula C21H19F4N5O2 and a molecular weight of 449.41 g/mol. Its IUPAC name is 4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID163383092
Molecular FormulaC21H19F4N5O2
Molecular Weight449.41 g/mol
Exact Mass449.15
IUPAC Name4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCN(C(=O)c1cc2c3c(c(N)nc2cc1F)COC3)[C@H](C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C21H19F4N5O2/c1-3-30(10(2)16-4-5-18(29-28-16)21(23,24)25)20(31)12-6-11-13-8-32-9-14(13)19(26)27-17(11)7-15(12)22/h4-7,10H,3,8-9H2,1-2H3,(H2,26,27)/t10-/m1/s1
InChIKeyQZLXIVBGVFOLPI-SNVBAGLBSA-N
XLogP4.02
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-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-fluoro-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867085
4-amino-N-[6,6-difluoro-2-(trifluoromethyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]-7-fluoro-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867568
4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383574
4-amino-7-fluoro-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-N-[2-(trifluoromethoxy)ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383632
4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383319
4-amino-N-[(6-ethoxypyridazin-3-yl)methyl]-N-ethyl-7-fluoro-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382984
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-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 167085267
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163383092) is 4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CCN(C(=O)c1cc2c3c(c(N)nc2cc1F)COC3)[C@H](C)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of 4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is QZLXIVBGVFOLPI-SNVBAGLBSA-N. The full InChI is InChI=1S/C21H19F4N5O2/c1-3-30(10(2)16-4-5-18(29-28-16)21(23,24)25)20(31)12-6-11-13-8-32-9-14(13)19(26)27-17(11)7-15(12)22/h4-7,10H,3,8-9H2,1-2H3,(H2,26,27)/t10-/m1/s1.
What are the key properties of 4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 449.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-7-fluoro-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).