5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline

C14H23NO2 — CID 70582409

IUPAC5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
SMILESCOC1=C2NC(C)(C)CC(C)C2C(OC)C=C1
InChIInChI=1S/C14H23NO2/c1-9-8-14(2,3)15-13-11(17-5)7-6-10(16-4)12(9)13/h6-7,9-10,12,15H,8H2,1-5H3
InChIKeyFCBVXWDMXQBOMJ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.45
Rot. Bonds2

About 5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline

5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline (PubChem CID 70582409) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
PubChem CID70582409
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
SMILESCOC1=C2NC(C)(C)CC(C)C2C(OC)C=C1
InChIInChI=1S/C14H23NO2/c1-9-8-14(2,3)15-13-11(17-5)7-6-10(16-4)12(9)13/h6-7,9-10,12,15H,8H2,1-5H3
InChIKeyFCBVXWDMXQBOMJ-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The IUPAC name of 5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline (CID 70582409) is 5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline.
What is the SMILES notation for 5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The canonical SMILES for 5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline is COC1=C2NC(C)(C)CC(C)C2C(OC)C=C1.
What is the InChIKey of 5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The InChIKey is FCBVXWDMXQBOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9-8-14(2,3)15-13-11(17-5)7-6-10(16-4)12(9)13/h6-7,9-10,12,15H,8H2,1-5H3.
What are the key properties of 5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline has a molecular weight of 237.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline is sourced from PubChem (CID 70582409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).