8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline

C21H23N3O — CID 18131319

IUPAC8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
SMILESCOc1ccc(N2CCN(Cc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C21H23N3O/c1-25-20-9-7-19(8-10-20)24-14-12-23(13-15-24)16-18-5-2-4-17-6-3-11-22-21(17)18/h2-11H,12-16H2,1H3
InChIKeyLKSLPHTZWHFWRJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.57
Rot. Bonds4

About 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline

8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline (PubChem CID 18131319) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
PubChem CID18131319
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
SMILESCOc1ccc(N2CCN(Cc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C21H23N3O/c1-25-20-9-7-19(8-10-20)24-14-12-23(13-15-24)16-18-5-2-4-17-6-3-11-22-21(17)18/h2-11H,12-16H2,1H3
InChIKeyLKSLPHTZWHFWRJ-UHFFFAOYSA-N
XLogP3.57
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline
CID 126813364
7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 171541814
8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 171541804
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine
CID 71700723
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline
CID 56554033
8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine
CID 91953450
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
1-(4-methoxyphenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 55830213

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline?
The IUPAC name of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline (CID 18131319) is 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline is COc1ccc(N2CCN(Cc3cccc4cccnc34)CC2)cc1.
What is the InChIKey of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline?
The InChIKey is LKSLPHTZWHFWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-25-20-9-7-19(8-10-20)24-14-12-23(13-15-24)16-18-5-2-4-17-6-3-11-22-21(17)18/h2-11H,12-16H2,1H3.
What are the key properties of 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline?
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline has a molecular weight of 333.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 18131319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).