5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine

C14H22N4O2 — CID 175245246

IUPAC5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine
SMILESCNC1=CC(NC)(NC)Nc2cc(OC)cc(OC)c21
InChIInChI=1S/C14H22N4O2/c1-15-11-8-14(16-2,17-3)18-10-6-9(19-4)7-12(20-5)13(10)11/h6-8,15-18H,1-5H3
InChIKeyGJCSVOYIRHRJNB-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.78
Rot. Bonds5

About 5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine

5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine (PubChem CID 175245246) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine.

Molecular Properties

Compound Name5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine
PubChem CID175245246
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine
SMILESCNC1=CC(NC)(NC)Nc2cc(OC)cc(OC)c21
InChIInChI=1S/C14H22N4O2/c1-15-11-8-14(16-2,17-3)18-10-6-9(19-4)7-12(20-5)13(10)11/h6-8,15-18H,1-5H3
InChIKeyGJCSVOYIRHRJNB-UHFFFAOYSA-N
XLogP0.78
TPSA66.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline
CID 84623903
chloro-tris(2,4,6-trimethoxyphenyl)silane
CID 88962916
5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832415
3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
CID 102009274
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568
N-[1-(3-chlorophenyl)-2-(5,7-dimethoxy-2,2-dimethyl-1H-quinolin-4-yl)ethyl]-4-methoxyaniline
CID 132942216
2-(2,4,6-trimethoxyphenyl)-1H-pyrrole
CID 135036019
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline
CID 24797160
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine?
The IUPAC name of 5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine (CID 175245246) is 5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine.
What is the SMILES notation for 5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine?
The canonical SMILES for 5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine is CNC1=CC(NC)(NC)Nc2cc(OC)cc(OC)c21.
What is the InChIKey of 5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine?
The InChIKey is GJCSVOYIRHRJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-15-11-8-14(16-2,17-3)18-10-6-9(19-4)7-12(20-5)13(10)11/h6-8,15-18H,1-5H3.
What are the key properties of 5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine?
5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine has a molecular weight of 278.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-N,2-N',4-N-trimethyl-1H-quinoline-2,2,4-triamine is sourced from PubChem (CID 175245246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).