5-methyl-7-phenylpyrido[4,3-b]indole

C18H14N2 — CID 155583386

IUPAC5-methyl-7-phenylpyrido[4,3-b]indole
SMILESCn1c2ccncc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C18H14N2/c1-20-17-9-10-19-12-16(17)15-8-7-14(11-18(15)20)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyLNPVOQPRNUHEPA-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.39
Rot. Bonds1

About 5-methyl-7-phenylpyrido[4,3-b]indole

5-methyl-7-phenylpyrido[4,3-b]indole (PubChem CID 155583386) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-methyl-7-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name5-methyl-7-phenylpyrido[4,3-b]indole
PubChem CID155583386
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name5-methyl-7-phenylpyrido[4,3-b]indole
SMILESCn1c2ccncc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C18H14N2/c1-20-17-9-10-19-12-16(17)15-8-7-14(11-18(15)20)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyLNPVOQPRNUHEPA-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenylpyrido[4,3-b]indole?
The IUPAC name of 5-methyl-7-phenylpyrido[4,3-b]indole (CID 155583386) is 5-methyl-7-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 5-methyl-7-phenylpyrido[4,3-b]indole?
The canonical SMILES for 5-methyl-7-phenylpyrido[4,3-b]indole is Cn1c2ccncc2c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 5-methyl-7-phenylpyrido[4,3-b]indole?
The InChIKey is LNPVOQPRNUHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-20-17-9-10-19-12-16(17)15-8-7-14(11-18(15)20)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 5-methyl-7-phenylpyrido[4,3-b]indole?
5-methyl-7-phenylpyrido[4,3-b]indole has a molecular weight of 258.32 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 155583386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).