2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline

C20H21NO — CID 58871307

IUPAC2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline
SMILESCCc1cc2cc(OC)ccc2nc1-c1ccc(C)cc1C
InChIInChI=1S/C20H21NO/c1-5-15-11-16-12-17(22-4)7-9-19(16)21-20(15)18-8-6-13(2)10-14(18)3/h6-12H,5H2,1-4H3
InChIKeyMMAFQJALZPGBQV-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.09
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline

2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline (PubChem CID 58871307) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline
PubChem CID58871307
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline
SMILESCCc1cc2cc(OC)ccc2nc1-c1ccc(C)cc1C
InChIInChI=1S/C20H21NO/c1-5-15-11-16-12-17(22-4)7-9-19(16)21-20(15)18-8-6-13(2)10-14(18)3/h6-12H,5H2,1-4H3
InChIKeyMMAFQJALZPGBQV-UHFFFAOYSA-N
XLogP5.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline?
The IUPAC name of 2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline (CID 58871307) is 2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline?
The canonical SMILES for 2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline is CCc1cc2cc(OC)ccc2nc1-c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline?
The InChIKey is MMAFQJALZPGBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-5-15-11-16-12-17(22-4)7-9-19(16)21-20(15)18-8-6-13(2)10-14(18)3/h6-12H,5H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline?
2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline has a molecular weight of 291.39 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-3-ethyl-6-methoxyquinoline is sourced from PubChem (CID 58871307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).