6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline

C18H19N5O — CID 22036397

IUPAC6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline
SMILESc1cnc2ccc(COc3nccnc3N3CCNCC3)cc2c1
InChIInChI=1S/C18H19N5O/c1-2-15-12-14(3-4-16(15)20-5-1)13-24-18-17(21-6-7-22-18)23-10-8-19-9-11-23/h1-7,12,19H,8-11,13H2
InChIKeyQVOSVELQWABSPN-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.01
Rot. Bonds4

About 6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline

6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline (PubChem CID 22036397) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline.

Molecular Properties

Compound Name6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline
PubChem CID22036397
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline
SMILESc1cnc2ccc(COc3nccnc3N3CCNCC3)cc2c1
InChIInChI=1S/C18H19N5O/c1-2-15-12-14(3-4-16(15)20-5-1)13-24-18-17(21-6-7-22-18)23-10-8-19-9-11-23/h1-7,12,19H,8-11,13H2
InChIKeyQVOSVELQWABSPN-UHFFFAOYSA-N
XLogP2.01
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline?
The IUPAC name of 6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline (CID 22036397) is 6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline.
What is the SMILES notation for 6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline?
The canonical SMILES for 6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline is c1cnc2ccc(COc3nccnc3N3CCNCC3)cc2c1.
What is the InChIKey of 6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline?
The InChIKey is QVOSVELQWABSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-15-12-14(3-4-16(15)20-5-1)13-24-18-17(21-6-7-22-18)23-10-8-19-9-11-23/h1-7,12,19H,8-11,13H2.
What are the key properties of 6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline?
6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline has a molecular weight of 321.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-piperazin-1-ylpyrazin-2-yl)oxymethyl]quinoline is sourced from PubChem (CID 22036397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).