6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline

C21H25NO2 — CID 139670132

IUPAC6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2c1ccc(OC)cc1
InChIInChI=1S/C21H25NO2/c1-6-24-18-11-12-20-19(13-18)15(2)14-21(3,4)22(20)16-7-9-17(23-5)10-8-16/h7-14H,6H2,1-5H3
InChIKeyUHAZRZKOLWQNAT-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.43
Rot. Bonds4

About 6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline

6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline (PubChem CID 139670132) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline.

Molecular Properties

Compound Name6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline
PubChem CID139670132
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2c1ccc(OC)cc1
InChIInChI=1S/C21H25NO2/c1-6-24-18-11-12-20-19(13-18)15(2)14-21(3,4)22(20)16-7-9-17(23-5)10-8-16/h7-14H,6H2,1-5H3
InChIKeyUHAZRZKOLWQNAT-UHFFFAOYSA-N
XLogP5.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline?
The IUPAC name of 6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline (CID 139670132) is 6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline.
What is the SMILES notation for 6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline?
The canonical SMILES for 6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2c1ccc(OC)cc1.
What is the InChIKey of 6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline?
The InChIKey is UHAZRZKOLWQNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-6-24-18-11-12-20-19(13-18)15(2)14-21(3,4)22(20)16-7-9-17(23-5)10-8-16/h7-14H,6H2,1-5H3.
What are the key properties of 6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline?
6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline has a molecular weight of 323.44 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-(4-methoxyphenyl)-2,2,4-trimethylquinoline is sourced from PubChem (CID 139670132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).