1-(2-methylphenyl)-9H-pyrido[3,4-b]indole

C18H14N2 — CID 134147548

IUPAC1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
SMILESCc1ccccc1-c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H14N2/c1-12-6-2-3-7-13(12)17-18-15(10-11-19-17)14-8-4-5-9-16(14)20-18/h2-11,20H,1H3
InChIKeyXUEVJYCRSUMYMN-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.69
Rot. Bonds1

About 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole

1-(2-methylphenyl)-9H-pyrido[3,4-b]indole (PubChem CID 134147548) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
PubChem CID134147548
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
SMILESCc1ccccc1-c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H14N2/c1-12-6-2-3-7-13(12)17-18-15(10-11-19-17)14-8-4-5-9-16(14)20-18/h2-11,20H,1H3
InChIKeyXUEVJYCRSUMYMN-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole (CID 134147548) is 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole is Cc1ccccc1-c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole?
The InChIKey is XUEVJYCRSUMYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-12-6-2-3-7-13(12)17-18-15(10-11-19-17)14-8-4-5-9-16(14)20-18/h2-11,20H,1H3.
What are the key properties of 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole?
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole has a molecular weight of 258.32 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 134147548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).