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

C19H18N6 — CID 146074623

IUPAC2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCc1cc(N2CCN(c3nc4ccccc4cc3C#N)CC2)ncn1
InChIInChI=1S/C19H18N6/c1-14-10-18(22-13-21-14)24-6-8-25(9-7-24)19-16(12-20)11-15-4-2-3-5-17(15)23-19/h2-5,10-11,13H,6-9H2,1H3
InChIKeyMTHMCYDFSKENIQ-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.53
Rot. Bonds2

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

2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 146074623) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID146074623
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCc1cc(N2CCN(c3nc4ccccc4cc3C#N)CC2)ncn1
InChIInChI=1S/C19H18N6/c1-14-10-18(22-13-21-14)24-6-8-25(9-7-24)19-16(12-20)11-15-4-2-3-5-17(15)23-19/h2-5,10-11,13H,6-9H2,1H3
InChIKeyMTHMCYDFSKENIQ-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 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile (CID 146074623) is 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile is Cc1cc(N2CCN(c3nc4ccccc4cc3C#N)CC2)ncn1.
What is the InChIKey of 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is MTHMCYDFSKENIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-14-10-18(22-13-21-14)24-6-8-25(9-7-24)19-16(12-20)11-15-4-2-3-5-17(15)23-19/h2-5,10-11,13H,6-9H2,1H3.
What are the key properties of 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile?
2-[4-(6-methylpyrimidin-4-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 2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 146074623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).