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

C18H19N5 — CID 18168047

IUPAC8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
SMILESc1cnc2c(CN3CCN(c4cnccn4)CC3)cccc2c1
InChIInChI=1S/C18H19N5/c1-3-15-5-2-6-21-18(15)16(4-1)14-22-9-11-23(12-10-22)17-13-19-7-8-20-17/h1-8,13H,9-12,14H2
InChIKeyZOGVMDGJYUSABQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.35
Rot. Bonds3

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

8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline (PubChem CID 18168047) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
PubChem CID18168047
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
SMILESc1cnc2c(CN3CCN(c4cnccn4)CC3)cccc2c1
InChIInChI=1S/C18H19N5/c1-3-15-5-2-6-21-18(15)16(4-1)14-22-9-11-23(12-10-22)17-13-19-7-8-20-17/h1-8,13H,9-12,14H2
InChIKeyZOGVMDGJYUSABQ-UHFFFAOYSA-N
XLogP2.35
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
1-chloro-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]isoquinoline
CID 134017908
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039496
8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025660
3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 32742377
8-[[4-[(5-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]quinoline
CID 126813364
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466
N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide
CID 34787759

Frequently Asked Questions

What is the IUPAC name of 8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline (CID 18168047) is 8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline is c1cnc2c(CN3CCN(c4cnccn4)CC3)cccc2c1.
What is the InChIKey of 8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline?
The InChIKey is ZOGVMDGJYUSABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-3-15-5-2-6-21-18(15)16(4-1)14-22-9-11-23(12-10-22)17-13-19-7-8-20-17/h1-8,13H,9-12,14H2.
What are the key properties of 8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline?
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline has a molecular weight of 305.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 18168047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).