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

C26H24N4O3 — CID 44562393

IUPACN-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine
SMILESCOc1cc2nccc(Oc3ccc4c(NCc5ccccc5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C26H24N4O3/c1-30-22-13-18(9-10-19(22)26(29-30)28-16-17-7-5-4-6-8-17)33-23-11-12-27-21-15-25(32-3)24(31-2)14-20(21)23/h4-15H,16H2,1-3H3,(H,28,29)
InChIKeyDMPMZNSWHVQAAY-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.54
Rot. Bonds7

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

N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine (PubChem CID 44562393) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine.

Molecular Properties

Compound NameN-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine
PubChem CID44562393
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine
SMILESCOc1cc2nccc(Oc3ccc4c(NCc5ccccc5)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C26H24N4O3/c1-30-22-13-18(9-10-19(22)26(29-30)28-16-17-7-5-4-6-8-17)33-23-11-12-27-21-15-25(32-3)24(31-2)14-20(21)23/h4-15H,16H2,1-3H3,(H,28,29)
InChIKeyDMPMZNSWHVQAAY-UHFFFAOYSA-N
XLogP5.54
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine?
The IUPAC name of N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine (CID 44562393) is N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine.
What is the SMILES notation for N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine?
The canonical SMILES for N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine is COc1cc2nccc(Oc3ccc4c(NCc5ccccc5)nn(C)c4c3)c2cc1OC.
What is the InChIKey of N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine?
The InChIKey is DMPMZNSWHVQAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-30-22-13-18(9-10-19(22)26(29-30)28-16-17-7-5-4-6-8-17)33-23-11-12-27-21-15-25(32-3)24(31-2)14-20(21)23/h4-15H,16H2,1-3H3,(H,28,29).
What are the key properties of N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine?
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine has a molecular weight of 440.50 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine is sourced from PubChem (CID 44562393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).