3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline

C23H19NO — CID 155569959

IUPAC3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline
SMILESCOCc1ccc(C=Cc2ccc3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C23H19NO/c1-25-16-18-8-6-17(7-9-18)10-12-20-13-14-22-21-5-3-2-4-19(21)11-15-23(22)24-20/h2-15H,16H2,1H3
InChIKeyKTVVKGZSYYYFRE-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.70
Rot. Bonds4

About 3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline

3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline (PubChem CID 155569959) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline.

Molecular Properties

Compound Name3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline
PubChem CID155569959
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline
SMILESCOCc1ccc(C=Cc2ccc3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C23H19NO/c1-25-16-18-8-6-17(7-9-18)10-12-20-13-14-22-21-5-3-2-4-19(21)11-15-23(22)24-20/h2-15H,16H2,1H3
InChIKeyKTVVKGZSYYYFRE-UHFFFAOYSA-N
XLogP5.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline?
The IUPAC name of 3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline (CID 155569959) is 3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline.
What is the SMILES notation for 3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline?
The canonical SMILES for 3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline is COCc1ccc(C=Cc2ccc3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline?
The InChIKey is KTVVKGZSYYYFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-25-16-18-8-6-17(7-9-18)10-12-20-13-14-22-21-5-3-2-4-19(21)11-15-23(22)24-20/h2-15H,16H2,1H3.
What are the key properties of 3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline?
3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline has a molecular weight of 325.41 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(methoxymethyl)phenyl]ethenyl]benzo[f]quinoline is sourced from PubChem (CID 155569959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).