4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine

C18H20N6 — CID 86718708

IUPAC4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine
SMILESC=Cc1c(N)nc(N)c2c(C)c3c(C=C)c(N)nc(N)c3c(C)c12
InChIInChI=1S/C18H20N6/c1-5-9-11-7(3)14-12(10(6-2)16(20)24-18(14)22)8(4)13(11)17(21)23-15(9)19/h5-6H,1-2H2,3-4H3,(H4,19,21,23)(H4,20,22,24)
InChIKeyGPNYZTFDKZBQCK-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.01
Rot. Bonds2

About 4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine

4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine (PubChem CID 86718708) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine.

Molecular Properties

Compound Name4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine
PubChem CID86718708
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine
SMILESC=Cc1c(N)nc(N)c2c(C)c3c(C=C)c(N)nc(N)c3c(C)c12
InChIInChI=1S/C18H20N6/c1-5-9-11-7(3)14-12(10(6-2)16(20)24-18(14)22)8(4)13(11)17(21)23-15(9)19/h5-6H,1-2H2,3-4H3,(H4,19,21,23)(H4,20,22,24)
InChIKeyGPNYZTFDKZBQCK-UHFFFAOYSA-N
XLogP3.01
TPSA129.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine?
The IUPAC name of 4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine (CID 86718708) is 4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine.
What is the SMILES notation for 4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine?
The canonical SMILES for 4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine is C=Cc1c(N)nc(N)c2c(C)c3c(C=C)c(N)nc(N)c3c(C)c12.
What is the InChIKey of 4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine?
The InChIKey is GPNYZTFDKZBQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-5-9-11-7(3)14-12(10(6-2)16(20)24-18(14)22)8(4)13(11)17(21)23-15(9)19/h5-6H,1-2H2,3-4H3,(H4,19,21,23)(H4,20,22,24).
What are the key properties of 4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine?
4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine has a molecular weight of 320.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine is sourced from PubChem (CID 86718708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).