N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine

C20H26N2O4 — CID 4650313

IUPACN-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCOc1ccc(NC2CC(C)Nc3c(OC)cc(OC)cc32)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-12-8-17(22-16-7-6-13(23-2)10-18(16)25-4)15-9-14(24-3)11-19(26-5)20(15)21-12/h6-7,9-12,17,21-22H,8H2,1-5H3
InChIKeyKGUVDVVKWWTBGW-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.08
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine

N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 4650313) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID4650313
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCOc1ccc(NC2CC(C)Nc3c(OC)cc(OC)cc32)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-12-8-17(22-16-7-6-13(23-2)10-18(16)25-4)15-9-14(24-3)11-19(26-5)20(15)21-12/h6-7,9-12,17,21-22H,8H2,1-5H3
InChIKeyKGUVDVVKWWTBGW-UHFFFAOYSA-N
XLogP4.08
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine (CID 4650313) is N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine is COc1ccc(NC2CC(C)Nc3c(OC)cc(OC)cc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is KGUVDVVKWWTBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-12-8-17(22-16-7-6-13(23-2)10-18(16)25-4)15-9-14(24-3)11-19(26-5)20(15)21-12/h6-7,9-12,17,21-22H,8H2,1-5H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 358.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 4650313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).