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

C23H27NO2 — CID 10247253

IUPAC6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline
SMILESC=CCOC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C23H27NO2/c1-6-13-26-16(2)20-15-23(3,4)24-21-12-11-17(14-19(20)21)18-9-7-8-10-22(18)25-5/h6-12,14-16,24H,1,13H2,2-5H3
InChIKeyAHCZZOJYVQVLQG-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.54
Rot. Bonds6

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

6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline (PubChem CID 10247253) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline
PubChem CID10247253
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline
SMILESC=CCOC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21
InChIInChI=1S/C23H27NO2/c1-6-13-26-16(2)20-15-23(3,4)24-21-12-11-17(14-19(20)21)18-9-7-8-10-22(18)25-5/h6-12,14-16,24H,1,13H2,2-5H3
InChIKeyAHCZZOJYVQVLQG-UHFFFAOYSA-N
XLogP5.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.54
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-(1-prop-2-enoxyethyl)-1H-quinoline?
The IUPAC name of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline (CID 10247253) is 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline.
What is the SMILES notation for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline?
The canonical SMILES for 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline is C=CCOC(C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21.
What is the InChIKey of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline?
The InChIKey is AHCZZOJYVQVLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-6-13-26-16(2)20-15-23(3,4)24-21-12-11-17(14-19(20)21)18-9-7-8-10-22(18)25-5/h6-12,14-16,24H,1,13H2,2-5H3.
What are the key properties of 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline?
6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline has a molecular weight of 349.47 g/mol, XLogP of 5.54, 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-(1-prop-2-enoxyethyl)-1H-quinoline is sourced from PubChem (CID 10247253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).