8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C18H18N2 — CID 68763051

IUPAC8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CN(c1ccccc1)CC3
InChIInChI=1S/C18H18N2/c1-13-7-8-17-15(11-13)16-12-20(10-9-18(16)19-17)14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3
InChIKeyFJCNDBNDYPXQPR-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.04
Rot. Bonds1

About 8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 68763051) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID68763051
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CN(c1ccccc1)CC3
InChIInChI=1S/C18H18N2/c1-13-7-8-17-15(11-13)16-12-20(10-9-18(16)19-17)14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3
InChIKeyFJCNDBNDYPXQPR-UHFFFAOYSA-N
XLogP4.04
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 68763051) is 8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is Cc1ccc2[nH]c3c(c2c1)CN(c1ccccc1)CC3.
What is the InChIKey of 8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is FJCNDBNDYPXQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-7-8-17-15(11-13)16-12-20(10-9-18(16)19-17)14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3.
What are the key properties of 8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 262.36 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 68763051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).