8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline

C21H24N4O — CID 126813364

IUPAC8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline
SMILESCOc1cncc(CN2CCN(Cc3cccc4cccnc34)CC2)c1
InChIInChI=1S/C21H24N4O/c1-26-20-12-17(13-22-14-20)15-24-8-10-25(11-9-24)16-19-5-2-4-18-6-3-7-23-21(18)19/h2-7,12-14H,8-11,15-16H2,1H3
InChIKeyWHUVZTRMEIIHBX-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.96
Rot. Bonds5

About 8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline

8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline (PubChem CID 126813364) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline
PubChem CID126813364
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline
SMILESCOc1cncc(CN2CCN(Cc3cccc4cccnc34)CC2)c1
InChIInChI=1S/C21H24N4O/c1-26-20-12-17(13-22-14-20)15-24-8-10-25(11-9-24)16-19-5-2-4-18-6-3-7-23-21(18)19/h2-7,12-14H,8-11,15-16H2,1H3
InChIKeyWHUVZTRMEIIHBX-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
(3,5-dimethoxy-4-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55512963
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 32742377
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-quinolin-8-ylethanone
CID 55507622
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide
CID 34787759
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267
1-[(5-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 83890066

Frequently Asked Questions

What is the IUPAC name of 8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline?
The IUPAC name of 8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline (CID 126813364) is 8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline is COc1cncc(CN2CCN(Cc3cccc4cccnc34)CC2)c1.
What is the InChIKey of 8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline?
The InChIKey is WHUVZTRMEIIHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-26-20-12-17(13-22-14-20)15-24-8-10-25(11-9-24)16-19-5-2-4-18-6-3-7-23-21(18)19/h2-7,12-14H,8-11,15-16H2,1H3.
What are the key properties of 8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline?
8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline has a molecular weight of 348.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 126813364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).