2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol

C23H30N4O2 — CID 174372855

IUPAC2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol
SMILESCCC(CO)Oc1cc(C)nc2c(-c3c(NC)cc(NC)cc3NC)cccc12
InChIInChI=1S/C23H30N4O2/c1-6-16(13-28)29-21-10-14(2)27-23-17(21)8-7-9-18(23)22-19(25-4)11-15(24-3)12-20(22)26-5/h7-12,16,24-26,28H,6,13H2,1-5H3
InChIKeyRCGXYJAVIITSGL-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.49
Rot. Bonds8

About 2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol

2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol (PubChem CID 174372855) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol.

Molecular Properties

Compound Name2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol
PubChem CID174372855
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol
SMILESCCC(CO)Oc1cc(C)nc2c(-c3c(NC)cc(NC)cc3NC)cccc12
InChIInChI=1S/C23H30N4O2/c1-6-16(13-28)29-21-10-14(2)27-23-17(21)8-7-9-18(23)22-19(25-4)11-15(24-3)12-20(22)26-5/h7-12,16,24-26,28H,6,13H2,1-5H3
InChIKeyRCGXYJAVIITSGL-UHFFFAOYSA-N
XLogP4.49
TPSA78.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol with MolForge

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Related Compounds

Ethacridine Lactate
CID 15789
Ethacridine
CID 2017
Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine, hydrate (1:1:1)
CID 165457
1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-methoxyphenyl)methyl)amino)-
CID 3025616
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-methoxyphenyl)methyl)amino)-
CID 3025617
1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-methoxyphenyl)methyl)amino)-
CID 3025618
1-Acridinol, 1,2,3,4-tetrahydro-9-((3-phenoxypropyl)amino)-
CID 3025629
[(4-{2-[(2R)-Piperidin-2-yl]ethoxy}quinoline-3,6-diyl)dibenzene-3,1-diyl]dimethanol
CID 52936831
N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine
CID 715734
N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine
CID 798218
6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine
CID 696591
(2S)-1-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propan-2-ol
CID 9797242

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol?
The IUPAC name of 2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol (CID 174372855) is 2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol.
What is the SMILES notation for 2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol?
The canonical SMILES for 2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol is CCC(CO)Oc1cc(C)nc2c(-c3c(NC)cc(NC)cc3NC)cccc12.
What is the InChIKey of 2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol?
The InChIKey is RCGXYJAVIITSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-6-16(13-28)29-21-10-14(2)27-23-17(21)8-7-9-18(23)22-19(25-4)11-15(24-3)12-20(22)26-5/h7-12,16,24-26,28H,6,13H2,1-5H3.
What are the key properties of 2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol?
2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol has a molecular weight of 394.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol is sourced from PubChem (CID 174372855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).