6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline

C22H25NO2 — CID 10314903

IUPAC6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline
SMILESC=CCOCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C22H25NO2/c1-5-12-25-15-17-14-22(2,3)23-20-11-10-16(13-19(17)20)18-8-6-7-9-21(18)24-4/h5-11,13-14,23H,1,12,15H2,2-4H3
InChIKeyULUIFFMKNJLGOU-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.15
Rot. Bonds6

About 6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline

6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline (PubChem CID 10314903) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline
PubChem CID10314903
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline
SMILESC=CCOCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C22H25NO2/c1-5-12-25-15-17-14-22(2,3)23-20-11-10-16(13-19(17)20)18-8-6-7-9-21(18)24-4/h5-11,13-14,23H,1,12,15H2,2-4H3
InChIKeyULUIFFMKNJLGOU-UHFFFAOYSA-N
XLogP5.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline?
The IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline (CID 10314903) is 6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline.
What is the SMILES notation for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline?
The canonical SMILES for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline is C=CCOCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21.
What is the InChIKey of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline?
The InChIKey is ULUIFFMKNJLGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-5-12-25-15-17-14-22(2,3)23-20-11-10-16(13-19(17)20)18-8-6-7-9-21(18)24-4/h5-11,13-14,23H,1,12,15H2,2-4H3.
What are the key properties of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline?
6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline has a molecular weight of 335.45 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1H-quinoline is sourced from PubChem (CID 10314903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).