3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine

C17H14N4O — CID 39220575

IUPAC3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine
SMILESCOc1ccc(-c2n[nH]c3cccc(N)c23)c2cccnc12
InChIInChI=1S/C17H14N4O/c1-22-14-8-7-11(10-4-3-9-19-16(10)14)17-15-12(18)5-2-6-13(15)20-21-17/h2-9H,18H2,1H3,(H,20,21)
InChIKeyOVVNXGWTVVNJPJ-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.37
Rot. Bonds2

About 3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine

3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine (PubChem CID 39220575) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine.

Molecular Properties

Compound Name3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine
PubChem CID39220575
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine
SMILESCOc1ccc(-c2n[nH]c3cccc(N)c23)c2cccnc12
InChIInChI=1S/C17H14N4O/c1-22-14-8-7-11(10-4-3-9-19-16(10)14)17-15-12(18)5-2-6-13(15)20-21-17/h2-9H,18H2,1H3,(H,20,21)
InChIKeyOVVNXGWTVVNJPJ-UHFFFAOYSA-N
XLogP3.37
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine
CID 39219698
8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline
CID 56858566
3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine
CID 39219484
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazol-4-amine
CID 39220118
2-(2,3-dimethoxyphenyl)pyridin-3-amine
CID 82794174
3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine
CID 117388997
2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 56717633
8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
CID 43450177
2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
CID 82039989
3-(2,5-dichlorophenyl)-1H-indazol-4-amine
CID 39219303
8-methoxy-N,N-dimethylquinolin-5-amine
CID 67991214

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine?
The IUPAC name of 3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine (CID 39220575) is 3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine.
What is the SMILES notation for 3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine?
The canonical SMILES for 3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine is COc1ccc(-c2n[nH]c3cccc(N)c23)c2cccnc12.
What is the InChIKey of 3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine?
The InChIKey is OVVNXGWTVVNJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-22-14-8-7-11(10-4-3-9-19-16(10)14)17-15-12(18)5-2-6-13(15)20-21-17/h2-9H,18H2,1H3,(H,20,21).
What are the key properties of 3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine?
3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine has a molecular weight of 290.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine is sourced from PubChem (CID 39220575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).