3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole

C16H22N2 — CID 84741438

IUPAC3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1cc(C)c2c(c1)c1c(n2C)CC(C)(C)NC1
InChIInChI=1S/C16H22N2/c1-10-6-11(2)15-12(7-10)13-9-17-16(3,4)8-14(13)18(15)5/h6-7,17H,8-9H2,1-5H3
InChIKeyBFMXXSFDEPCBKT-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.22
Rot. Bonds

About 3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole

3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 84741438) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID84741438
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1cc(C)c2c(c1)c1c(n2C)CC(C)(C)NC1
InChIInChI=1S/C16H22N2/c1-10-6-11(2)15-12(7-10)13-9-17-16(3,4)8-14(13)18(15)5/h6-7,17H,8-9H2,1-5H3
InChIKeyBFMXXSFDEPCBKT-UHFFFAOYSA-N
XLogP3.22
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole (CID 84741438) is 3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole is Cc1cc(C)c2c(c1)c1c(n2C)CC(C)(C)NC1.
What is the InChIKey of 3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is BFMXXSFDEPCBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-6-11(2)15-12(7-10)13-9-17-16(3,4)8-14(13)18(15)5/h6-7,17H,8-9H2,1-5H3.
What are the key properties of 3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole?
3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 242.37 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,6,8-pentamethyl-2,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 84741438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).