6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine

C22H24N4O3 — CID 44562292

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine
SMILESCCCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C22H24N4O3/c1-5-9-24-22-15-7-6-14(11-18(15)26(2)25-22)29-19-8-10-23-17-13-21(28-4)20(27-3)12-16(17)19/h6-8,10-13H,5,9H2,1-4H3,(H,24,25)
InChIKeyMMLCFXQGQIBEIM-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.75
Rot. Bonds7

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine

6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine (PubChem CID 44562292) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine
PubChem CID44562292
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine
SMILESCCCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C22H24N4O3/c1-5-9-24-22-15-7-6-14(11-18(15)26(2)25-22)29-19-8-10-23-17-13-21(28-4)20(27-3)12-16(17)19/h6-8,10-13H,5,9H2,1-4H3,(H,24,25)
InChIKeyMMLCFXQGQIBEIM-UHFFFAOYSA-N
XLogP4.75
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine (CID 44562292) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine is CCCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine?
The InChIKey is MMLCFXQGQIBEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-5-9-24-22-15-7-6-14(11-18(15)26(2)25-22)29-19-8-10-23-17-13-21(28-4)20(27-3)12-16(17)19/h6-8,10-13H,5,9H2,1-4H3,(H,24,25).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine?
6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine has a molecular weight of 392.46 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methyl-N-propylindazol-3-amine is sourced from PubChem (CID 44562292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).