3-(4-ethylphenyl)-1-methylbenzo[f]quinoline

C22H19N — CID 3111566

IUPAC3-(4-ethylphenyl)-1-methylbenzo[f]quinoline
SMILESCCc1ccc(-c2cc(C)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C22H19N/c1-3-16-8-10-18(11-9-16)21-14-15(2)22-19-7-5-4-6-17(19)12-13-20(22)23-21/h4-14H,3H2,1-2H3
InChIKeyMRDARLFMISBTTJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.93
Rot. Bonds2

About 3-(4-ethylphenyl)-1-methylbenzo[f]quinoline

3-(4-ethylphenyl)-1-methylbenzo[f]quinoline (PubChem CID 3111566) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-methylbenzo[f]quinoline.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-methylbenzo[f]quinoline
PubChem CID3111566
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name3-(4-ethylphenyl)-1-methylbenzo[f]quinoline
SMILESCCc1ccc(-c2cc(C)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C22H19N/c1-3-16-8-10-18(11-9-16)21-14-15(2)22-19-7-5-4-6-17(19)12-13-20(22)23-21/h4-14H,3H2,1-2H3
InChIKeyMRDARLFMISBTTJ-UHFFFAOYSA-N
XLogP5.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-ethylphenyl)-1-methylbenzo[f]quinoline?
The IUPAC name of 3-(4-ethylphenyl)-1-methylbenzo[f]quinoline (CID 3111566) is 3-(4-ethylphenyl)-1-methylbenzo[f]quinoline.
What is the SMILES notation for 3-(4-ethylphenyl)-1-methylbenzo[f]quinoline?
The canonical SMILES for 3-(4-ethylphenyl)-1-methylbenzo[f]quinoline is CCc1ccc(-c2cc(C)c3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-methylbenzo[f]quinoline?
The InChIKey is MRDARLFMISBTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-3-16-8-10-18(11-9-16)21-14-15(2)22-19-7-5-4-6-17(19)12-13-20(22)23-21/h4-14H,3H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-1-methylbenzo[f]quinoline?
3-(4-ethylphenyl)-1-methylbenzo[f]quinoline has a molecular weight of 297.40 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-methylbenzo[f]quinoline is sourced from PubChem (CID 3111566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).