8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline

C19H20N4 — CID 17451460

IUPAC8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
SMILESc1ccc(N2CCN(Cc3cccc4cccnc34)CC2)nc1
InChIInChI=1S/C19H20N4/c1-2-9-20-18(8-1)23-13-11-22(12-14-23)15-17-6-3-5-16-7-4-10-21-19(16)17/h1-10H,11-15H2
InChIKeyRUPHMLIFGYITJS-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.95
Rot. Bonds3

About 8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline

8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline (PubChem CID 17451460) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
PubChem CID17451460
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
SMILESc1ccc(N2CCN(Cc3cccc4cccnc34)CC2)nc1
InChIInChI=1S/C19H20N4/c1-2-9-20-18(8-1)23-13-11-22(12-14-23)15-17-6-3-5-16-7-4-10-21-19(16)17/h1-10H,11-15H2
InChIKeyRUPHMLIFGYITJS-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047
8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025660
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
1-chloro-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]isoquinoline
CID 134017908
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039496
1-pyridin-2-yl-4-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
CID 11143376
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267

Frequently Asked Questions

What is the IUPAC name of 8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline (CID 17451460) is 8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline is c1ccc(N2CCN(Cc3cccc4cccnc34)CC2)nc1.
What is the InChIKey of 8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
The InChIKey is RUPHMLIFGYITJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-9-20-18(8-1)23-13-11-22(12-14-23)15-17-6-3-5-16-7-4-10-21-19(16)17/h1-10H,11-15H2.
What are the key properties of 8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline has a molecular weight of 304.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 17451460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).