4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline

C24H19N — CID 62707087

IUPAC4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline
SMILESCc1c(-c2ccccc2)nc(/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C24H19N/c1-18-21-14-8-9-15-22(21)23(17-16-19-10-4-2-5-11-19)25-24(18)20-12-6-3-7-13-20/h2-17H,1H3/b17-16+
InChIKeyDPZXRICCLBDEBW-WUKNDPDISA-N
MW321.42 g/mol
LogP6.38
Rot. Bonds3

About 4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline

4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline (PubChem CID 62707087) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline.

Molecular Properties

Compound Name4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline
PubChem CID62707087
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline
SMILESCc1c(-c2ccccc2)nc(/C=C/c2ccccc2)c2ccccc12
InChIInChI=1S/C24H19N/c1-18-21-14-8-9-15-22(21)23(17-16-19-10-4-2-5-11-19)25-24(18)20-12-6-3-7-13-20/h2-17H,1H3/b17-16+
InChIKeyDPZXRICCLBDEBW-WUKNDPDISA-N
XLogP6.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline?
The IUPAC name of 4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline (CID 62707087) is 4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline.
What is the SMILES notation for 4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline?
The canonical SMILES for 4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline is Cc1c(-c2ccccc2)nc(/C=C/c2ccccc2)c2ccccc12.
What is the InChIKey of 4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline?
The InChIKey is DPZXRICCLBDEBW-WUKNDPDISA-N. The full InChI is InChI=1S/C24H19N/c1-18-21-14-8-9-15-22(21)23(17-16-19-10-4-2-5-11-19)25-24(18)20-12-6-3-7-13-20/h2-17H,1H3/b17-16+.
What are the key properties of 4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline?
4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline has a molecular weight of 321.42 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline is sourced from PubChem (CID 62707087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).