3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole

C21H20N2O3 — CID 155804063

IUPAC3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1cnc(-c3ccc(OC)c(OC)c3)cc1n2C
InChIInChI=1S/C21H20N2O3/c1-23-18-7-6-14(24-2)10-15(18)16-12-22-17(11-19(16)23)13-5-8-20(25-3)21(9-13)26-4/h5-12H,1-4H3
InChIKeyHOUJZLGSQAPOTG-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.42
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole

3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole (PubChem CID 155804063) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole
PubChem CID155804063
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1cnc(-c3ccc(OC)c(OC)c3)cc1n2C
InChIInChI=1S/C21H20N2O3/c1-23-18-7-6-14(24-2)10-15(18)16-12-22-17(11-19(16)23)13-5-8-20(25-3)21(9-13)26-4/h5-12H,1-4H3
InChIKeyHOUJZLGSQAPOTG-UHFFFAOYSA-N
XLogP4.42
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,7-dimethoxy-9-methylpyrido[3,4-b]indole
CID 90455764
6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine
CID 155668633
2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
CID 146024274
6-(5-methoxy-1,2-dimethylindol-3-yl)pyridin-3-amine
CID 115110619
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 164627590
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
2-(3,4-dimethoxyphenyl)-4-iodopyridine
CID 138723153
5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine
CID 6917239
4-chloro-2-(3,4-dimethoxyphenyl)pyridine
CID 102825072
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole (CID 155804063) is 3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole is COc1ccc2c(c1)c1cnc(-c3ccc(OC)c(OC)c3)cc1n2C.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole?
The InChIKey is HOUJZLGSQAPOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-23-18-7-6-14(24-2)10-15(18)16-12-22-17(11-19(16)23)13-5-8-20(25-3)21(9-13)26-4/h5-12H,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole?
3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole has a molecular weight of 348.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole is sourced from PubChem (CID 155804063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).