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

C23H26N4O3 — CID 44562325

IUPACN-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine
SMILESCCCCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C23H26N4O3/c1-5-6-10-25-23-16-8-7-15(12-19(16)27(2)26-23)30-20-9-11-24-18-14-22(29-4)21(28-3)13-17(18)20/h7-9,11-14H,5-6,10H2,1-4H3,(H,25,26)
InChIKeyOCOSYFAWILUPTE-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.14
Rot. Bonds8

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

N-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine (PubChem CID 44562325) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine.

Molecular Properties

Compound NameN-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine
PubChem CID44562325
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine
SMILESCCCCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C23H26N4O3/c1-5-6-10-25-23-16-8-7-15(12-19(16)27(2)26-23)30-20-9-11-24-18-14-22(29-4)21(28-3)13-17(18)20/h7-9,11-14H,5-6,10H2,1-4H3,(H,25,26)
InChIKeyOCOSYFAWILUPTE-UHFFFAOYSA-N
XLogP5.14
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine?
The IUPAC name of N-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine (CID 44562325) is N-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine.
What is the SMILES notation for N-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine?
The canonical SMILES for N-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine is CCCCNc1nn(C)c2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12.
What is the InChIKey of N-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine?
The InChIKey is OCOSYFAWILUPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-5-6-10-25-23-16-8-7-15(12-19(16)27(2)26-23)30-20-9-11-24-18-14-22(29-4)21(28-3)13-17(18)20/h7-9,11-14H,5-6,10H2,1-4H3,(H,25,26).
What are the key properties of N-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine?
N-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine has a molecular weight of 406.49 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine is sourced from PubChem (CID 44562325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).