8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C12H14N2O — CID 14355088

IUPAC8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCOc1cccc2c3c([nH]c12)CNCC3
InChIInChI=1S/C12H14N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-4,13-14H,5-7H2,1H3
InChIKeyKKTKOWJABJYACN-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.82
Rot. Bonds1

About 8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 14355088) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID14355088
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCOc1cccc2c3c([nH]c12)CNCC3
InChIInChI=1S/C12H14N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-4,13-14H,5-7H2,1H3
InChIKeyKKTKOWJABJYACN-UHFFFAOYSA-N
XLogP1.82
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 14355088) is 8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is COc1cccc2c3c([nH]c12)CNCC3.
What is the InChIKey of 8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is KKTKOWJABJYACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-4,13-14H,5-7H2,1H3.
What are the key properties of 8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 202.26 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 14355088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).