2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline

C20H17N3O3 — CID 129033436

IUPAC2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline
SMILESCOc1cc(-c2cnc3ccc4ncccc4c3n2)cc(OC)c1OC
InChIInChI=1S/C20H17N3O3/c1-24-17-9-12(10-18(25-2)20(17)26-3)16-11-22-15-7-6-14-13(19(15)23-16)5-4-8-21-14/h4-11H,1-3H3
InChIKeySLMIGCQJIRQQGA-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.87
Rot. Bonds4

About 2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline

2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline (PubChem CID 129033436) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline
PubChem CID129033436
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline
SMILESCOc1cc(-c2cnc3ccc4ncccc4c3n2)cc(OC)c1OC
InChIInChI=1S/C20H17N3O3/c1-24-17-9-12(10-18(25-2)20(17)26-3)16-11-22-15-7-6-14-13(19(15)23-16)5-4-8-21-14/h4-11H,1-3H3
InChIKeySLMIGCQJIRQQGA-UHFFFAOYSA-N
XLogP3.87
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1,7-phenanthroline
CID 67576947
[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
CID 22557920
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
6-methoxy-3-phenylquinoxaline-5-carboxylic acid
CID 68675114
4-(4-methoxyphenyl)-2-pyridin-2-yl-6-(3,4,5-trimethoxyphenyl)pyrimidine
CID 90680976
2,3-dimethoxy-5-quinolin-6-ylbenzaldehyde
CID 39226788
6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
CID 10426212
7-quinolin-6-yl-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779212
2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine
CID 59430270
2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918272
3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
CID 67422117
2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate
CID 22938063

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline (CID 129033436) is 2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline is COc1cc(-c2cnc3ccc4ncccc4c3n2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline?
The InChIKey is SLMIGCQJIRQQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-24-17-9-12(10-18(25-2)20(17)26-3)16-11-22-15-7-6-14-13(19(15)23-16)5-4-8-21-14/h4-11H,1-3H3.
What are the key properties of 2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline?
2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline has a molecular weight of 347.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)pyrido[3,2-f]quinoxaline is sourced from PubChem (CID 129033436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).