8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

C23H20N2 — CID 51360676

IUPAC8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3cncc4ccccc34)cc3c(c21)C1CCC3C1
InChIInChI=1S/C23H20N2/c1-25-9-8-18-20(21-13-24-12-16-4-2-3-5-17(16)21)11-19-14-6-7-15(10-14)22(19)23(18)25/h2-5,8-9,11-15H,6-7,10H2,1H3
InChIKeyWFQNJMPACDTFHK-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.76
Rot. Bonds1

About 8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360676) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360676
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3cncc4ccccc34)cc3c(c21)C1CCC3C1
InChIInChI=1S/C23H20N2/c1-25-9-8-18-20(21-13-24-12-16-4-2-3-5-17(16)21)11-19-14-6-7-15(10-14)22(19)23(18)25/h2-5,8-9,11-15H,6-7,10H2,1H3
InChIKeyWFQNJMPACDTFHK-UHFFFAOYSA-N
XLogP5.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360676) is 8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.
What is the SMILES notation for 8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is Cn1ccc2c(-c3cncc4ccccc34)cc3c(c21)C1CCC3C1.
What is the InChIKey of 8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is WFQNJMPACDTFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-25-9-8-18-20(21-13-24-12-16-4-2-3-5-17(16)21)11-19-14-6-7-15(10-14)22(19)23(18)25/h2-5,8-9,11-15H,6-7,10H2,1H3.
What are the key properties of 8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 324.43 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-isoquinolin-4-yl-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).