7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium

C21H24N3O+ — CID 7441761

IUPAC7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium
SMILESCOc1ccc2c(C)cc(N3CCN(c4ccccc4)CC3)[nH+]c2c1
InChIInChI=1S/C21H23N3O/c1-16-14-21(22-20-15-18(25-2)8-9-19(16)20)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3/p+1
InChIKeyCXQUYSCFMHCDAP-UHFFFAOYSA-O
MW334.44 g/mol
LogP3.30
Rot. Bonds3

About 7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium

7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium (PubChem CID 7441761) has the molecular formula C21H24N3O+ and a molecular weight of 334.44 g/mol. Its IUPAC name is 7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium.

Molecular Properties

Compound Name7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium
PubChem CID7441761
Molecular FormulaC21H24N3O+
Molecular Weight334.44 g/mol
Exact Mass334.19
IUPAC Name7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium
SMILESCOc1ccc2c(C)cc(N3CCN(c4ccccc4)CC3)[nH+]c2c1
InChIInChI=1S/C21H23N3O/c1-16-14-21(22-20-15-18(25-2)8-9-19(16)20)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3/p+1
InChIKeyCXQUYSCFMHCDAP-UHFFFAOYSA-O
XLogP3.30
TPSA29.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinolin-1-ium
CID 7441754
7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium
CID 9453959
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-4-methylquinolin-1-ium
CID 7441767
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
3-methoxy-5-(4-phenylpiperazin-1-yl)aniline
CID 80726785
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
2-(azepan-1-yl)-7-chloro-4-methylquinolin-1-ium
CID 7453143
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
7-methoxy-1-[(4-phenylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 2672003
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine
CID 92967649
7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline
CID 110434228

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium?
The IUPAC name of 7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium (CID 7441761) is 7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium.
What is the SMILES notation for 7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium?
The canonical SMILES for 7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium is COc1ccc2c(C)cc(N3CCN(c4ccccc4)CC3)[nH+]c2c1.
What is the InChIKey of 7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium?
The InChIKey is CXQUYSCFMHCDAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N3O/c1-16-14-21(22-20-15-18(25-2)8-9-19(16)20)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3/p+1.
What are the key properties of 7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium?
7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium has a molecular weight of 334.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium is sourced from PubChem (CID 7441761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).