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

C16H18N2O — CID 11779007

IUPAC3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole
SMILESCC(C)CCOc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyLGSILYYIMNHYCP-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.14
Rot. Bonds4

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

3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole (PubChem CID 11779007) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole
PubChem CID11779007
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole
SMILESCC(C)CCOc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyLGSILYYIMNHYCP-UHFFFAOYSA-N
XLogP4.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole?
The IUPAC name of 3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole (CID 11779007) is 3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole is CC(C)CCOc1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of 3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole?
The InChIKey is LGSILYYIMNHYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11(2)7-8-19-16-9-13-12-5-3-4-6-14(12)18-15(13)10-17-16/h3-6,9-11,18H,7-8H2,1-2H3.
What are the key properties of 3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole?
3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole has a molecular weight of 254.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 11779007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).