6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine

C21H22N4O3 — CID 44562291

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine
SMILESCCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C21H22N4O3/c1-5-22-21-14-7-6-13(10-17(14)25(2)24-21)28-18-8-9-23-16-12-20(27-4)19(26-3)11-15(16)18/h6-12H,5H2,1-4H3,(H,22,24)
InChIKeyRTWXEPJOWUMGMI-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.36
Rot. Bonds6

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine (PubChem CID 44562291) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine
PubChem CID44562291
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine
SMILESCCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C21H22N4O3/c1-5-22-21-14-7-6-13(10-17(14)25(2)24-21)28-18-8-9-23-16-12-20(27-4)19(26-3)11-15(16)18/h6-12H,5H2,1-4H3,(H,22,24)
InChIKeyRTWXEPJOWUMGMI-UHFFFAOYSA-N
XLogP4.36
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.36
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-N-ethyl-1-methylindazol-3-amine?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine (CID 44562291) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine is CCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine?
The InChIKey is RTWXEPJOWUMGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-5-22-21-14-7-6-13(10-17(14)25(2)24-21)28-18-8-9-23-16-12-20(27-4)19(26-3)11-15(16)18/h6-12H,5H2,1-4H3,(H,22,24).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-1-methylindazol-3-amine has a molecular weight of 378.43 g/mol, XLogP of 4.36, 6 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-N-ethyl-1-methylindazol-3-amine is sourced from PubChem (CID 44562291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).