1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole

C23H18N2O — CID 53318152

IUPAC1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1cc(OCc3ccc4ccccc4c3)ccc12
InChIInChI=1S/C23H18N2O/c1-15-23-21(10-11-24-15)20-9-8-19(13-22(20)25-23)26-14-16-6-7-17-4-2-3-5-18(17)12-16/h2-13,25H,14H2,1H3
InChIKeyIJFIGOXMFMCUSL-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.76
Rot. Bonds3

About 1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole

1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole (PubChem CID 53318152) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole
PubChem CID53318152
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1cc(OCc3ccc4ccccc4c3)ccc12
InChIInChI=1S/C23H18N2O/c1-15-23-21(10-11-24-15)20-9-8-19(13-22(20)25-23)26-14-16-6-7-17-4-2-3-5-18(17)12-16/h2-13,25H,14H2,1H3
InChIKeyIJFIGOXMFMCUSL-UHFFFAOYSA-N
XLogP5.76
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole (CID 53318152) is 1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole is Cc1nccc2c1[nH]c1cc(OCc3ccc4ccccc4c3)ccc12.
What is the InChIKey of 1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole?
The InChIKey is IJFIGOXMFMCUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-15-23-21(10-11-24-15)20-9-8-19(13-22(20)25-23)26-14-16-6-7-17-4-2-3-5-18(17)12-16/h2-13,25H,14H2,1H3.
What are the key properties of 1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole?
1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole has a molecular weight of 338.41 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(naphthalen-2-ylmethoxy)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 53318152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).