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

C21H25NO2 — CID 23648072

IUPAC4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
SMILESCOc1ccccc1-c1ccc2c(c1)C(C(C)OC)=CC(C)(C)N2
InChIInChI=1S/C21H25NO2/c1-14(23-4)18-13-21(2,3)22-19-11-10-15(12-17(18)19)16-8-6-7-9-20(16)24-5/h6-14,22H,1-5H3
InChIKeyUKWDXTKCAKQGJP-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.98
Rot. Bonds4

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

4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline (PubChem CID 23648072) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline.

Molecular Properties

Compound Name4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
PubChem CID23648072
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
SMILESCOc1ccccc1-c1ccc2c(c1)C(C(C)OC)=CC(C)(C)N2
InChIInChI=1S/C21H25NO2/c1-14(23-4)18-13-21(2,3)22-19-11-10-15(12-17(18)19)16-8-6-7-9-20(16)24-5/h6-14,22H,1-5H3
InChIKeyUKWDXTKCAKQGJP-UHFFFAOYSA-N
XLogP4.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
The IUPAC name of 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline (CID 23648072) is 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline.
What is the SMILES notation for 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
The canonical SMILES for 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline is COc1ccccc1-c1ccc2c(c1)C(C(C)OC)=CC(C)(C)N2.
What is the InChIKey of 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
The InChIKey is UKWDXTKCAKQGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14(23-4)18-13-21(2,3)22-19-11-10-15(12-17(18)19)16-8-6-7-9-20(16)24-5/h6-14,22H,1-5H3.
What are the key properties of 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline?
4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline has a molecular weight of 323.44 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline is sourced from PubChem (CID 23648072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).