4-methoxy-7-morpholin-4-yl-3H-indol-2-amine

C13H17N3O2 — CID 167535004

IUPAC4-methoxy-7-morpholin-4-yl-3H-indol-2-amine
SMILESCOc1ccc(N2CCOCC2)c2c1CC(N)=N2
InChIInChI=1S/C13H17N3O2/c1-17-11-3-2-10(16-4-6-18-7-5-16)13-9(11)8-12(14)15-13/h2-3H,4-8H2,1H3,(H2,14,15)
InChIKeyALIVGNWYPWDAIJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.08
Rot. Bonds2

About 4-methoxy-7-morpholin-4-yl-3H-indol-2-amine

4-methoxy-7-morpholin-4-yl-3H-indol-2-amine (PubChem CID 167535004) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-methoxy-7-morpholin-4-yl-3H-indol-2-amine.

Molecular Properties

Compound Name4-methoxy-7-morpholin-4-yl-3H-indol-2-amine
PubChem CID167535004
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-methoxy-7-morpholin-4-yl-3H-indol-2-amine
SMILESCOc1ccc(N2CCOCC2)c2c1CC(N)=N2
InChIInChI=1S/C13H17N3O2/c1-17-11-3-2-10(16-4-6-18-7-5-16)13-9(11)8-12(14)15-13/h2-3H,4-8H2,1H3,(H2,14,15)
InChIKeyALIVGNWYPWDAIJ-UHFFFAOYSA-N
XLogP1.08
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-morpholin-4-yl-3H-indol-2-amine?
The IUPAC name of 4-methoxy-7-morpholin-4-yl-3H-indol-2-amine (CID 167535004) is 4-methoxy-7-morpholin-4-yl-3H-indol-2-amine.
What is the SMILES notation for 4-methoxy-7-morpholin-4-yl-3H-indol-2-amine?
The canonical SMILES for 4-methoxy-7-morpholin-4-yl-3H-indol-2-amine is COc1ccc(N2CCOCC2)c2c1CC(N)=N2.
What is the InChIKey of 4-methoxy-7-morpholin-4-yl-3H-indol-2-amine?
The InChIKey is ALIVGNWYPWDAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-11-3-2-10(16-4-6-18-7-5-16)13-9(11)8-12(14)15-13/h2-3H,4-8H2,1H3,(H2,14,15).
What are the key properties of 4-methoxy-7-morpholin-4-yl-3H-indol-2-amine?
4-methoxy-7-morpholin-4-yl-3H-indol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-morpholin-4-yl-3H-indol-2-amine is sourced from PubChem (CID 167535004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).