4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline

C20H25NO — CID 4042443

IUPAC4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline
SMILESCCOc1ccc(C2(C)CC(C)(C)Nc3ccccc32)cc1
InChIInChI=1S/C20H25NO/c1-5-22-16-12-10-15(11-13-16)20(4)14-19(2,3)21-18-9-7-6-8-17(18)20/h6-13,21H,5,14H2,1-4H3
InChIKeyZDEDODYRKZMYLX-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.99
Rot. Bonds3

About 4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline

4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline (PubChem CID 4042443) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline
PubChem CID4042443
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline
SMILESCCOc1ccc(C2(C)CC(C)(C)Nc3ccccc32)cc1
InChIInChI=1S/C20H25NO/c1-5-22-16-12-10-15(11-13-16)20(4)14-19(2,3)21-18-9-7-6-8-17(18)20/h6-13,21H,5,14H2,1-4H3
InChIKeyZDEDODYRKZMYLX-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
The IUPAC name of 4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline (CID 4042443) is 4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline.
What is the SMILES notation for 4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
The canonical SMILES for 4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline is CCOc1ccc(C2(C)CC(C)(C)Nc3ccccc32)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
The InChIKey is ZDEDODYRKZMYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-5-22-16-12-10-15(11-13-16)20(4)14-19(2,3)21-18-9-7-6-8-17(18)20/h6-13,21H,5,14H2,1-4H3.
What are the key properties of 4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline?
4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline has a molecular weight of 295.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline is sourced from PubChem (CID 4042443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).