3-phenoxypyrazino[2,3-f][1,10]phenanthroline

C20H12N4O — CID 156587782

IUPAC3-phenoxypyrazino[2,3-f][1,10]phenanthroline
SMILESc1ccc(Oc2cnc3c4cccnc4c4ncccc4c3n2)cc1
InChIInChI=1S/C20H12N4O/c1-2-6-13(7-3-1)25-16-12-23-19-14-8-4-10-21-17(14)18-15(20(19)24-16)9-5-11-22-18/h1-12H
InChIKeyKLEAPXIRAILVEG-UHFFFAOYSA-N
MW324.34 g/mol
LogP4.52
Rot. Bonds2

About 3-phenoxypyrazino[2,3-f][1,10]phenanthroline

3-phenoxypyrazino[2,3-f][1,10]phenanthroline (PubChem CID 156587782) has the molecular formula C20H12N4O and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-phenoxypyrazino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name3-phenoxypyrazino[2,3-f][1,10]phenanthroline
PubChem CID156587782
Molecular FormulaC20H12N4O
Molecular Weight324.34 g/mol
Exact Mass324.10
IUPAC Name3-phenoxypyrazino[2,3-f][1,10]phenanthroline
SMILESc1ccc(Oc2cnc3c4cccnc4c4ncccc4c3n2)cc1
InChIInChI=1S/C20H12N4O/c1-2-6-13(7-3-1)25-16-12-23-19-14-8-4-10-21-17(14)18-15(20(19)24-16)9-5-11-22-18/h1-12H
InChIKeyKLEAPXIRAILVEG-UHFFFAOYSA-N
XLogP4.52
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-phenoxypyrazino[2,3-f][1,10]phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
CID 44532544
7-[3-(morpholin-4-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
CID 44532545
7-[3-(piperidin-1-ylmethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
CID 44532546
7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
CID 44532547
4-[4-(4-Prop-2-enoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
CID 73345798
3-[4-[3-(4-Fluorophenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline
CID 118707958
1-Methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
CID 118707960
13-Pyridin-4-yl-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
CID 137653258
4-(7-fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-6-(4-morpholinyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 50939340
1-Ethoxy-5-methoxy-6-methylpyrido[3,2-a]phenazine
CID 389067
2-Ethoxy-1,10-phenanthroline
CID 355195
2-Methyl-8-pyrazin-2-yloxyquinoline
CID 2539875

Frequently Asked Questions

What is the IUPAC name of 3-phenoxypyrazino[2,3-f][1,10]phenanthroline?
The IUPAC name of 3-phenoxypyrazino[2,3-f][1,10]phenanthroline (CID 156587782) is 3-phenoxypyrazino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 3-phenoxypyrazino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 3-phenoxypyrazino[2,3-f][1,10]phenanthroline is c1ccc(Oc2cnc3c4cccnc4c4ncccc4c3n2)cc1.
What is the InChIKey of 3-phenoxypyrazino[2,3-f][1,10]phenanthroline?
The InChIKey is KLEAPXIRAILVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O/c1-2-6-13(7-3-1)25-16-12-23-19-14-8-4-10-21-17(14)18-15(20(19)24-16)9-5-11-22-18/h1-12H.
What are the key properties of 3-phenoxypyrazino[2,3-f][1,10]phenanthroline?
3-phenoxypyrazino[2,3-f][1,10]phenanthroline has a molecular weight of 324.34 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxypyrazino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 156587782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).