2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium

C23H28N3O+ — CID 7441767

IUPAC2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium
SMILESCOc1ccc2[nH+]c(N3CCN(c4cc(C)ccc4C)CC3)cc(C)c2c1
InChIInChI=1S/C23H27N3O/c1-16-5-6-17(2)22(13-16)25-9-11-26(12-10-25)23-14-18(3)20-15-19(27-4)7-8-21(20)24-23/h5-8,13-15H,9-12H2,1-4H3/p+1
InChIKeyKDDXEKBSCDVZFO-UHFFFAOYSA-O
MW362.50 g/mol
LogP3.91
Rot. Bonds3

About 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium

2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium (PubChem CID 7441767) has the molecular formula C23H28N3O+ and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium
PubChem CID7441767
Molecular FormulaC23H28N3O+
Molecular Weight362.50 g/mol
Exact Mass362.22
IUPAC Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium
SMILESCOc1ccc2[nH+]c(N3CCN(c4cc(C)ccc4C)CC3)cc(C)c2c1
InChIInChI=1S/C23H27N3O/c1-16-5-6-17(2)22(13-16)25-9-11-26(12-10-25)23-14-18(3)20-15-19(27-4)7-8-21(20)24-23/h5-8,13-15H,9-12H2,1-4H3/p+1
InChIKeyKDDXEKBSCDVZFO-UHFFFAOYSA-O
XLogP3.91
TPSA29.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium with MolForge

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Related Compounds

7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium
CID 7441761
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4526321
7-chloro-2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-1-ium
CID 7441754
1-(5-methoxy-2-methylphenyl)piperidin-4-one
CID 90151171
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113075435
(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol
CID 52905693
1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 7441278
1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113075483
ethyl (4S)-6-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51607460
1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
CID 21363831
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2896881
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylchromen-2-one
CID 44561858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium (CID 7441767) is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium is COc1ccc2[nH+]c(N3CCN(c4cc(C)ccc4C)CC3)cc(C)c2c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium?
The InChIKey is KDDXEKBSCDVZFO-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H27N3O/c1-16-5-6-17(2)22(13-16)25-9-11-26(12-10-25)23-14-18(3)20-15-19(27-4)7-8-21(20)24-23/h5-8,13-15H,9-12H2,1-4H3/p+1.
What are the key properties of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium?
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium has a molecular weight of 362.50 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium is sourced from PubChem (CID 7441767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).