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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Related Compounds

Ethoxyquin
CID 3293
4-methoxy-2-methyl-N-phenylaniline
CID 162461
6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 86013
6-(2-methoxyphenyl)-2,2-dimethyl-4-{1-[(2E)-pent-2-en-1-yloxy]ethyl}-1,2-dihydroquinoline
CID 9999671
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10021634
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[2-methyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10068183
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10247253
4-{1-[(2E)-but-2-en-1-yloxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10316670
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)but-3-en-1-yl]-1,2-dihydroquinoline
CID 10362131
6-(2-Methoxyphenyl)-2,2-dimethyl-4-{1-[(3-methylbut-2-en-1-yl)oxy]ethyl}-1,2-dihydroquinoline
CID 10474749
4-[(4-iodophenyl)methoxy]-N,N-dimethylaniline
CID 76283253
Ethyl 6-[(ethoxycarbonyl)oxy]-2,2,4-trimethyl-1(2H)-quinolinecarboxylate
CID 660687

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).