2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline

C18H13N3O — CID 132513522

IUPAC2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline
SMILESCOc1cccc(-c2ccc3ccc4cccnc4c3n2)n1
InChIInChI=1S/C18H13N3O/c1-22-16-6-2-5-14(20-16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)21-15/h2-11H,1H3
InChIKeyWRXFDTXEDYEUED-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.85
Rot. Bonds2

About 2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline

2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline (PubChem CID 132513522) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline
PubChem CID132513522
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline
SMILESCOc1cccc(-c2ccc3ccc4cccnc4c3n2)n1
InChIInChI=1S/C18H13N3O/c1-22-16-6-2-5-14(20-16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)21-15/h2-11H,1H3
InChIKeyWRXFDTXEDYEUED-UHFFFAOYSA-N
XLogP3.85
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
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
2-(4-Ethoxyphenyl)quinoxaline
CID 765189
3-Methoxy-5-(1,5-naphthyridin-3-yl)benzonitrile
CID 44434733
3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}Quinoline
CID 46238348

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline?
The IUPAC name of 2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline (CID 132513522) is 2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline?
The canonical SMILES for 2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline is COc1cccc(-c2ccc3ccc4cccnc4c3n2)n1.
What is the InChIKey of 2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline?
The InChIKey is WRXFDTXEDYEUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-22-16-6-2-5-14(20-16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)21-15/h2-11H,1H3.
What are the key properties of 2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline?
2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline has a molecular weight of 287.32 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-pyridinyl)-1,10-phenanthroline is sourced from PubChem (CID 132513522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).