1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole

C15H16N2 — CID 10680671

IUPAC1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole
SMILESCc1cc2[nH]c3cc(C)c(C)cc3c2c(C)n1
InChIInChI=1S/C15H16N2/c1-8-5-12-13(6-9(8)2)17-14-7-10(3)16-11(4)15(12)14/h5-7,17H,1-4H3
InChIKeyQIGKOOKPOYQMDH-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.95
Rot. Bonds

About 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole

1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole (PubChem CID 10680671) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole
PubChem CID10680671
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole
SMILESCc1cc2[nH]c3cc(C)c(C)cc3c2c(C)n1
InChIInChI=1S/C15H16N2/c1-8-5-12-13(6-9(8)2)17-14-7-10(3)16-11(4)15(12)14/h5-7,17H,1-4H3
InChIKeyQIGKOOKPOYQMDH-UHFFFAOYSA-N
XLogP3.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole?
The IUPAC name of 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole (CID 10680671) is 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole?
The canonical SMILES for 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole is Cc1cc2[nH]c3cc(C)c(C)cc3c2c(C)n1.
What is the InChIKey of 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole?
The InChIKey is QIGKOOKPOYQMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-8-5-12-13(6-9(8)2)17-14-7-10(3)16-11(4)15(12)14/h5-7,17H,1-4H3.
What are the key properties of 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole?
1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole has a molecular weight of 224.31 g/mol, XLogP of 3.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7,8-tetramethyl-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 10680671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).