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

C19H18N4O3 — CID 44562290

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine
SMILESCOc1cc2nccc(Oc3ccc4c(N)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C19H18N4O3/c1-23-15-8-11(4-5-12(15)19(20)22-23)26-16-6-7-21-14-10-18(25-3)17(24-2)9-13(14)16/h4-10H,1-3H3,(H2,20,22)
InChIKeyBIWNXULDINSCTP-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.51
Rot. Bonds4

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

6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine (PubChem CID 44562290) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine
PubChem CID44562290
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine
SMILESCOc1cc2nccc(Oc3ccc4c(N)nn(C)c4c3)c2cc1OC
InChIInChI=1S/C19H18N4O3/c1-23-15-8-11(4-5-12(15)19(20)22-23)26-16-6-7-21-14-10-18(25-3)17(24-2)9-13(14)16/h4-10H,1-3H3,(H2,20,22)
InChIKeyBIWNXULDINSCTP-UHFFFAOYSA-N
XLogP3.51
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.51
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-methylindazol-3-amine?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine (CID 44562290) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine is COc1cc2nccc(Oc3ccc4c(N)nn(C)c4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine?
The InChIKey is BIWNXULDINSCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-23-15-8-11(4-5-12(15)19(20)22-23)26-16-6-7-21-14-10-18(25-3)17(24-2)9-13(14)16/h4-10H,1-3H3,(H2,20,22).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine?
6-(6,7-dimethoxyquinolin-4-yl)oxy-1-methylindazol-3-amine has a molecular weight of 350.38 g/mol, XLogP of 3.51, 4 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-methylindazol-3-amine is sourced from PubChem (CID 44562290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).