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

C21H21F2N5O3 — CID 163382630

IUPAC(3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCN(Cc1ccc(OC(F)F)nn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C21H21F2N5O3/c1-3-28(9-13-5-7-17(27-26-13)31-21(22)23)20(29)12-4-6-16-14(8-12)15-10-30-11(2)18(15)19(24)25-16/h4-8,11,21H,3,9-10H2,1-2H3,(H2,24,25)/t11-/m1/s1
InChIKeyAIZINZSILPSMFC-LLVKDONJSA-N
MW429.43 g/mol
LogP3.46
Rot. Bonds6

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

(3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163382630) has the molecular formula C21H21F2N5O3 and a molecular weight of 429.43 g/mol. Its IUPAC name is (3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID163382630
Molecular FormulaC21H21F2N5O3
Molecular Weight429.43 g/mol
Exact Mass429.16
IUPAC Name(3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESCCN(Cc1ccc(OC(F)F)nn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C
InChIInChI=1S/C21H21F2N5O3/c1-3-28(9-13-5-7-17(27-26-13)31-21(22)23)20(29)12-4-6-16-14(8-12)15-10-30-11(2)18(15)19(24)25-16/h4-8,11,21H,3,9-10H2,1-2H3,(H2,24,25)/t11-/m1/s1
InChIKeyAIZINZSILPSMFC-LLVKDONJSA-N
XLogP3.46
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of (3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163382630) is (3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for (3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is CCN(Cc1ccc(OC(F)F)nn1)C(=O)c1ccc2nc(N)c3c(c2c1)CO[C@@H]3C.
What is the InChIKey of (3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is AIZINZSILPSMFC-LLVKDONJSA-N. The full InChI is InChI=1S/C21H21F2N5O3/c1-3-28(9-13-5-7-17(27-26-13)31-21(22)23)20(29)12-4-6-16-14(8-12)15-10-30-11(2)18(15)19(24)25-16/h4-8,11,21H,3,9-10H2,1-2H3,(H2,24,25)/t11-/m1/s1.
What are the key properties of (3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
(3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]-N-ethyl-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).