6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline

C30H33NO2 — CID 10071910

IUPAC6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline
SMILESC=CCOC(CCc1ccccc1)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C30H33NO2/c1-5-19-33-29(18-15-22-11-7-6-8-12-22)26-21-30(2,3)31-27-17-16-23(20-25(26)27)24-13-9-10-14-28(24)32-4/h5-14,16-17,20-21,29,31H,1,15,18-19H2,2-4H3
InChIKeyKPAXBIAZFPSKKK-UHFFFAOYSA-N
MW439.60 g/mol
LogP7.15
Rot. Bonds9

About 6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline

6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline (PubChem CID 10071910) has the molecular formula C30H33NO2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline
PubChem CID10071910
Molecular FormulaC30H33NO2
Molecular Weight439.60 g/mol
Exact Mass439.25
IUPAC Name6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline
SMILESC=CCOC(CCc1ccccc1)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C30H33NO2/c1-5-19-33-29(18-15-22-11-7-6-8-12-22)26-21-30(2,3)31-27-17-16-23(20-25(26)27)24-13-9-10-14-28(24)32-4/h5-14,16-17,20-21,29,31H,1,15,18-19H2,2-4H3
InChIKeyKPAXBIAZFPSKKK-UHFFFAOYSA-N
XLogP7.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline?
The IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline (CID 10071910) is 6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline.
What is the SMILES notation for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline?
The canonical SMILES for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline is C=CCOC(CCc1ccccc1)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21.
What is the InChIKey of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline?
The InChIKey is KPAXBIAZFPSKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO2/c1-5-19-33-29(18-15-22-11-7-6-8-12-22)26-21-30(2,3)31-27-17-16-23(20-25(26)27)24-13-9-10-14-28(24)32-4/h5-14,16-17,20-21,29,31H,1,15,18-19H2,2-4H3.
What are the key properties of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline?
6-(2-methoxyphenyl)-2,2-dimethyl-4-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline has a molecular weight of 439.60 g/mol, XLogP of 7.15, 9 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-(3-phenyl-1-prop-2-enoxypropyl)-1H-quinoline is sourced from PubChem (CID 10071910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).