4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline

C13H19NO3 — CID 82276016

IUPAC4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(OC)c2c(c1)C(OC)CC(C)N2
InChIInChI=1S/C13H19NO3/c1-8-5-11(16-3)10-6-9(15-2)7-12(17-4)13(10)14-8/h6-8,11,14H,5H2,1-4H3
InChIKeyUTVDDMDZQOSTBL-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.60
Rot. Bonds3

About 4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline

4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 82276016) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID82276016
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(OC)c2c(c1)C(OC)CC(C)N2
InChIInChI=1S/C13H19NO3/c1-8-5-11(16-3)10-6-9(15-2)7-12(17-4)13(10)14-8/h6-8,11,14H,5H2,1-4H3
InChIKeyUTVDDMDZQOSTBL-UHFFFAOYSA-N
XLogP2.60
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,8-dimethoxy-N,N,2-trimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82276015
N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 4650313
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275853
7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275034
1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene
CID 61384882
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
2-(5,7-dimethoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82496963
3,5-dimethoxy-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 13396026
(3aR,4R,9bR)-4-(4-bromophenyl)-6,8-dimethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7114490
2-[chloro(cyclopropyl)methyl]-1,3,5-trimethoxybenzene
CID 61086161
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806

Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline (CID 82276016) is 4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline is COc1cc(OC)c2c(c1)C(OC)CC(C)N2.
What is the InChIKey of 4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is UTVDDMDZQOSTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-5-11(16-3)10-6-9(15-2)7-12(17-4)13(10)14-8/h6-8,11,14H,5H2,1-4H3.
What are the key properties of 4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 237.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82276016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).