1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole

C18H15N3O — CID 53316832

IUPAC1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1cc(OCc3cccnc3)ccc12
InChIInChI=1S/C18H15N3O/c1-12-18-16(6-8-20-12)15-5-4-14(9-17(15)21-18)22-11-13-3-2-7-19-10-13/h2-10,21H,11H2,1H3
InChIKeyDBVRCFMRLBRLQE-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.00
Rot. Bonds3

About 1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole

1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole (PubChem CID 53316832) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole
PubChem CID53316832
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1cc(OCc3cccnc3)ccc12
InChIInChI=1S/C18H15N3O/c1-12-18-16(6-8-20-12)15-5-4-14(9-17(15)21-18)22-11-13-3-2-7-19-10-13/h2-10,21H,11H2,1H3
InChIKeyDBVRCFMRLBRLQE-UHFFFAOYSA-N
XLogP4.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole (CID 53316832) is 1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole is Cc1nccc2c1[nH]c1cc(OCc3cccnc3)ccc12.
What is the InChIKey of 1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole?
The InChIKey is DBVRCFMRLBRLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12-18-16(6-8-20-12)15-5-4-14(9-17(15)21-18)22-11-13-3-2-7-19-10-13/h2-10,21H,11H2,1H3.
What are the key properties of 1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole?
1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole has a molecular weight of 289.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 53316832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).