2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline

C23H25NO — CID 4596738

IUPAC2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline
SMILESCC1CC(C)(C)Nc2ccc(OCc3cccc4ccccc34)cc21
InChIInChI=1S/C23H25NO/c1-16-14-23(2,3)24-22-12-11-19(13-21(16)22)25-15-18-9-6-8-17-7-4-5-10-20(17)18/h4-13,16,24H,14-15H2,1-3H3
InChIKeyAWHHDBMYENAHPM-UHFFFAOYSA-N
MW331.46 g/mol
LogP6.12
Rot. Bonds3

About 2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline

2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline (PubChem CID 4596738) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline
PubChem CID4596738
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline
SMILESCC1CC(C)(C)Nc2ccc(OCc3cccc4ccccc34)cc21
InChIInChI=1S/C23H25NO/c1-16-14-23(2,3)24-22-12-11-19(13-21(16)22)25-15-18-9-6-8-17-7-4-5-10-20(17)18/h4-13,16,24H,14-15H2,1-3H3
InChIKeyAWHHDBMYENAHPM-UHFFFAOYSA-N
XLogP6.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline?
The IUPAC name of 2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline (CID 4596738) is 2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline is CC1CC(C)(C)Nc2ccc(OCc3cccc4ccccc34)cc21.
What is the InChIKey of 2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline?
The InChIKey is AWHHDBMYENAHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-16-14-23(2,3)24-22-12-11-19(13-21(16)22)25-15-18-9-6-8-17-7-4-5-10-20(17)18/h4-13,16,24H,14-15H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline?
2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline has a molecular weight of 331.46 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 4596738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).