8-methoxy-9-methylpyrido[3,4-b]indol-1-amine

C13H13N3O — CID 115036068

IUPAC8-methoxy-9-methylpyrido[3,4-b]indol-1-amine
SMILESCOc1cccc2c3ccnc(N)c3n(C)c12
InChIInChI=1S/C13H13N3O/c1-16-11-8(4-3-5-10(11)17-2)9-6-7-15-13(14)12(9)16/h3-7H,1-2H3,(H2,14,15)
InChIKeyTZEZXCPAAAQXGG-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.32
Rot. Bonds1

About 8-methoxy-9-methylpyrido[3,4-b]indol-1-amine

8-methoxy-9-methylpyrido[3,4-b]indol-1-amine (PubChem CID 115036068) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 8-methoxy-9-methylpyrido[3,4-b]indol-1-amine.

Molecular Properties

Compound Name8-methoxy-9-methylpyrido[3,4-b]indol-1-amine
PubChem CID115036068
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name8-methoxy-9-methylpyrido[3,4-b]indol-1-amine
SMILESCOc1cccc2c3ccnc(N)c3n(C)c12
InChIInChI=1S/C13H13N3O/c1-16-11-8(4-3-5-10(11)17-2)9-6-7-15-13(14)12(9)16/h3-7H,1-2H3,(H2,14,15)
InChIKeyTZEZXCPAAAQXGG-UHFFFAOYSA-N
XLogP2.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9-methylpyrido[3,4-b]indol-1-amine?
The IUPAC name of 8-methoxy-9-methylpyrido[3,4-b]indol-1-amine (CID 115036068) is 8-methoxy-9-methylpyrido[3,4-b]indol-1-amine.
What is the SMILES notation for 8-methoxy-9-methylpyrido[3,4-b]indol-1-amine?
The canonical SMILES for 8-methoxy-9-methylpyrido[3,4-b]indol-1-amine is COc1cccc2c3ccnc(N)c3n(C)c12.
What is the InChIKey of 8-methoxy-9-methylpyrido[3,4-b]indol-1-amine?
The InChIKey is TZEZXCPAAAQXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-16-11-8(4-3-5-10(11)17-2)9-6-7-15-13(14)12(9)16/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 8-methoxy-9-methylpyrido[3,4-b]indol-1-amine?
8-methoxy-9-methylpyrido[3,4-b]indol-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9-methylpyrido[3,4-b]indol-1-amine is sourced from PubChem (CID 115036068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).