3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole

C15H16N2O — CID 10333698

IUPAC3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole
SMILESCC(C)COc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3
InChIKeyKWHWSXISOMCUPZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.75
Rot. Bonds3

About 3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole

3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole (PubChem CID 10333698) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole
PubChem CID10333698
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole
SMILESCC(C)COc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3
InChIKeyKWHWSXISOMCUPZ-UHFFFAOYSA-N
XLogP3.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole?
The IUPAC name of 3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole (CID 10333698) is 3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole is CC(C)COc1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of 3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole?
The InChIKey is KWHWSXISOMCUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10(2)9-18-15-7-12-11-5-3-4-6-13(11)17-14(12)8-16-15/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole?
3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole has a molecular weight of 240.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 10333698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).