4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile

C19H18N6 — CID 133469371

IUPAC4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCc1cncc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1
InChIInChI=1S/C19H18N6/c1-14-11-21-13-18(23-14)24-6-8-25(9-7-24)19-15(10-20)12-22-17-5-3-2-4-16(17)19/h2-5,11-13H,6-9H2,1H3
InChIKeyBCIHPBGOOPYBAY-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.53
Rot. Bonds2

About 4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile

4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 133469371) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID133469371
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCc1cncc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1
InChIInChI=1S/C19H18N6/c1-14-11-21-13-18(23-14)24-6-8-25(9-7-24)19-15(10-20)12-22-17-5-3-2-4-16(17)19/h2-5,11-13H,6-9H2,1H3
InChIKeyBCIHPBGOOPYBAY-UHFFFAOYSA-N
XLogP2.53
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile (CID 133469371) is 4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile is Cc1cncc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1.
What is the InChIKey of 4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is BCIHPBGOOPYBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-14-11-21-13-18(23-14)24-6-8-25(9-7-24)19-15(10-20)12-22-17-5-3-2-4-16(17)19/h2-5,11-13H,6-9H2,1H3.
What are the key properties of 4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile?
4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 330.40 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133469371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).