4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C22H22F3N5O3 — CID 163383574

IUPAC4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCOCC(C)N(Cc1ccc(C(F)(F)F)nn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C22H22F3N5O3/c1-12(9-32-2)30(8-14-4-6-19(29-28-14)22(23,24)25)21(31)13-3-5-18-15(7-13)16-10-33-11-17(16)20(26)27-18/h3-7,12H,8-11H2,1-2H3,(H2,26,27)
InChIKeyIDEXHVWXNJMNDF-UHFFFAOYSA-N
MW461.44 g/mol
LogP3.33
Rot. Bonds6

About 4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163383574) has the molecular formula C22H22F3N5O3 and a molecular weight of 461.44 g/mol. Its IUPAC name is 4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID163383574
Molecular FormulaC22H22F3N5O3
Molecular Weight461.44 g/mol
Exact Mass461.17
IUPAC Name4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCOCC(C)N(Cc1ccc(C(F)(F)F)nn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3
InChIInChI=1S/C22H22F3N5O3/c1-12(9-32-2)30(8-14-4-6-19(29-28-14)22(23,24)25)21(31)13-3-5-18-15(7-13)16-10-33-11-17(16)20(26)27-18/h3-7,12H,8-11H2,1-2H3,(H2,26,27)
InChIKeyIDEXHVWXNJMNDF-UHFFFAOYSA-N
XLogP3.33
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide with MolForge

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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-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383193
4-amino-N-[(6-chloropyridazin-3-yl)methyl]-N-(1-pyrimidin-2-ylethyl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 175487766
(3R)-4-amino-N-(cyclopropylmethyl)-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102329
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
4-amino-N-cyclopropyl-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102303
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
(3R)-4-amino-N-[(6-bromopyridazin-3-yl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-3-methyl-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
CID 167085296
N-[(5-acetyl-2-pyridinyl)methyl]-4-amino-N-(1-methoxypropan-2-yl)-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 175977938
2-amino-3-bromo-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-methoxypropan-2-yl)quinoline-6-carboxamide
CID 166709930
2-amino-N-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]quinoline-6-carboxamide
CID 156830856

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of 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) is 4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is COCC(C)N(Cc1ccc(C(F)(F)F)nn1)C(=O)c1ccc2nc(N)c3c(c2c1)COC3.
What is the InChIKey of 4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is IDEXHVWXNJMNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3/c1-12(9-32-2)30(8-14-4-6-19(29-28-14)22(23,24)25)21(31)13-3-5-18-15(7-13)16-10-33-11-17(16)20(26)27-18/h3-7,12H,8-11H2,1-2H3,(H2,26,27).
What are the key properties of 4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methoxypropan-2-yl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).