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

C12H10N2O — CID 10976451

IUPAC1-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10N2O/c1-15-12-11-9(6-7-13-12)8-4-2-3-5-10(8)14-11/h2-7,14H,1H3
InChIKeyRQLKZZBMSWQOQJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.72
Rot. Bonds1

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

1-methoxy-9H-pyrido[3,4-b]indole (PubChem CID 10976451) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-methoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methoxy-9H-pyrido[3,4-b]indole
PubChem CID10976451
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name1-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10N2O/c1-15-12-11-9(6-7-13-12)8-4-2-3-5-10(8)14-11/h2-7,14H,1H3
InChIKeyRQLKZZBMSWQOQJ-UHFFFAOYSA-N
XLogP2.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-methoxy-9H-pyrido[3,4-b]indole (CID 10976451) is 1-methoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-methoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-methoxy-9H-pyrido[3,4-b]indole is COc1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-methoxy-9H-pyrido[3,4-b]indole?
The InChIKey is RQLKZZBMSWQOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-15-12-11-9(6-7-13-12)8-4-2-3-5-10(8)14-11/h2-7,14H,1H3.
What are the key properties of 1-methoxy-9H-pyrido[3,4-b]indole?
1-methoxy-9H-pyrido[3,4-b]indole has a molecular weight of 198.22 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 10976451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).