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

C12H10N2O — CID 22185224

IUPAC8-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1cccc2c1[nH]c1cnccc12
InChIInChI=1S/C12H10N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-7,14H,1H3
InChIKeyCIEVLKSHXKXRQR-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.72
Rot. Bonds1

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

8-methoxy-9H-pyrido[3,4-b]indole (PubChem CID 22185224) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 8-methoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name8-methoxy-9H-pyrido[3,4-b]indole
PubChem CID22185224
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name8-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1cccc2c1[nH]c1cnccc12
InChIInChI=1S/C12H10N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-7,14H,1H3
InChIKeyCIEVLKSHXKXRQR-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 8-methoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 8-methoxy-9H-pyrido[3,4-b]indole (CID 22185224) is 8-methoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 8-methoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 8-methoxy-9H-pyrido[3,4-b]indole is COc1cccc2c1[nH]c1cnccc12.
What is the InChIKey of 8-methoxy-9H-pyrido[3,4-b]indole?
The InChIKey is CIEVLKSHXKXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-7,14H,1H3.
What are the key properties of 8-methoxy-9H-pyrido[3,4-b]indole?
8-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 8-methoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 22185224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).