1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline

C22H14N4 — CID 102186037

IUPAC1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline
SMILESc1ccc(-c2nccc3cc4ccnc(-c5ccccn5)c4cc23)nc1
InChIInChI=1S/C22H14N4/c1-3-9-23-19(5-1)21-17-14-18-16(13-15(17)7-11-25-21)8-12-26-22(18)20-6-2-4-10-24-20/h1-14H
InChIKeyWYVKCYKZEFSOQM-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.91
Rot. Bonds2

About 1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline

1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline (PubChem CID 102186037) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline.

Molecular Properties

Compound Name1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline
PubChem CID102186037
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline
SMILESc1ccc(-c2nccc3cc4ccnc(-c5ccccn5)c4cc23)nc1
InChIInChI=1S/C22H14N4/c1-3-9-23-19(5-1)21-17-14-18-16(13-15(17)7-11-25-21)8-12-26-22(18)20-6-2-4-10-24-20/h1-14H
InChIKeyWYVKCYKZEFSOQM-UHFFFAOYSA-N
XLogP4.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-methyl-7-pyridin-2-yl-2,8-phenanthroline
CID 168852602
4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-amine
CID 67238213
1-(4-pyridin-2-ylphenyl)isoquinoline
CID 58947156
pyrrolo[3,2-b]azepine
CID 66934182
(2,3-dipyridin-2-yl-4-pyridinyl)phosphane
CID 123336699
bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
CID 159285657
2-(1-pyridin-2-ylanthracen-2-yl)pyridine
CID 19367617
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of 1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline?
The IUPAC name of 1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline (CID 102186037) is 1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline.
What is the SMILES notation for 1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline?
The canonical SMILES for 1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline is c1ccc(-c2nccc3cc4ccnc(-c5ccccn5)c4cc23)nc1.
What is the InChIKey of 1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline?
The InChIKey is WYVKCYKZEFSOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4/c1-3-9-23-19(5-1)21-17-14-18-16(13-15(17)7-11-25-21)8-12-26-22(18)20-6-2-4-10-24-20/h1-14H.
What are the key properties of 1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline?
1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline has a molecular weight of 334.38 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dipyridin-2-ylpyrido[4,3-g]isoquinoline is sourced from PubChem (CID 102186037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).