4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline

C24H29NO2 — CID 10316670

IUPAC4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
SMILESC/C=C/COC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C24H29NO2/c1-6-7-14-27-17(2)21-16-24(3,4)25-22-13-12-18(15-20(21)22)19-10-8-9-11-23(19)26-5/h6-13,15-17,25H,14H2,1-5H3/b7-6+
InChIKeyJFEUWHWUEKXKKU-VOTSOKGWSA-N
MW363.50 g/mol
LogP5.93
Rot. Bonds6

About 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline

4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline (PubChem CID 10316670) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline.

Molecular Properties

Compound Name4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
PubChem CID10316670
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
SMILESC/C=C/COC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C24H29NO2/c1-6-7-14-27-17(2)21-16-24(3,4)25-22-13-12-18(15-20(21)22)19-10-8-9-11-23(19)26-5/h6-13,15-17,25H,14H2,1-5H3/b7-6+
InChIKeyJFEUWHWUEKXKKU-VOTSOKGWSA-N
XLogP5.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.93
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 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
The IUPAC name of 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline (CID 10316670) is 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline.
What is the SMILES notation for 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
The canonical SMILES for 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline is C/C=C/COC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21.
What is the InChIKey of 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
The InChIKey is JFEUWHWUEKXKKU-VOTSOKGWSA-N. The full InChI is InChI=1S/C24H29NO2/c1-6-7-14-27-17(2)21-16-24(3,4)25-22-13-12-18(15-20(21)22)19-10-8-9-11-23(19)26-5/h6-13,15-17,25H,14H2,1-5H3/b7-6+.
What are the key properties of 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline has a molecular weight of 363.50 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline is sourced from PubChem (CID 10316670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).