3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline

C28H20N4O — CID 21304153

IUPAC3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline
SMILESCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H20N4O/c1-17-7-9-18(10-8-17)23-24(19-11-13-20(33-2)14-12-19)32-28-22-6-4-16-30-26(22)25-21(27(28)31-23)5-3-15-29-25/h3-16H,1-2H3
InChIKeyUIPNIKGRXWHEOW-UHFFFAOYSA-N
MW428.50 g/mol
LogP6.38
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline

3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline (PubChem CID 21304153) has the molecular formula C28H20N4O and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline
PubChem CID21304153
Molecular FormulaC28H20N4O
Molecular Weight428.50 g/mol
Exact Mass428.16
IUPAC Name3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline
SMILESCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H20N4O/c1-17-7-9-18(10-8-17)23-24(19-11-13-20(33-2)14-12-19)32-28-22-6-4-16-30-26(22)25-21(27(28)31-23)5-3-15-29-25/h3-16H,1-2H3
InChIKeyUIPNIKGRXWHEOW-UHFFFAOYSA-N
XLogP6.38
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}quinoline
CID 12004280
6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-piperazinyl}quinoline
CID 16091081
Ethenyl-4-phenylamino-3-quinolinecarbonitrile 6b
CID 5330486
3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}Quinoline
CID 46238348
7-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}Quinoline
CID 12004114
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-(trifluoromethyl)Quinoline
CID 12004116
5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004223

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline?
The IUPAC name of 3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline (CID 21304153) is 3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline is COc1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline?
The InChIKey is UIPNIKGRXWHEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O/c1-17-7-9-18(10-8-17)23-24(19-11-13-20(33-2)14-12-19)32-28-22-6-4-16-30-26(22)25-21(27(28)31-23)5-3-15-29-25/h3-16H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline?
3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline has a molecular weight of 428.50 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(4-methylphenyl)pyrazino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 21304153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).