2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile

C23H25N7O — CID 146074701

IUPAC2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile
SMILESCc1nc(N2CCOCC2)cc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1
InChIInChI=1S/C23H25N7O/c1-17-25-22(15-23(26-17)30-10-12-31-13-11-30)29-8-6-28(7-9-29)21-14-18(16-24)19-4-2-3-5-20(19)27-21/h2-5,14-15H,6-13H2,1H3
InChIKeyYIMZYWSTSOLFOT-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.37
Rot. Bonds3

About 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile

2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile (PubChem CID 146074701) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile
PubChem CID146074701
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile
SMILESCc1nc(N2CCOCC2)cc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1
InChIInChI=1S/C23H25N7O/c1-17-25-22(15-23(26-17)30-10-12-31-13-11-30)29-8-6-28(7-9-29)21-14-18(16-24)19-4-2-3-5-20(19)27-21/h2-5,14-15H,6-13H2,1H3
InChIKeyYIMZYWSTSOLFOT-UHFFFAOYSA-N
XLogP2.37
TPSA81.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile (CID 146074701) is 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile is Cc1nc(N2CCOCC2)cc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1.
What is the InChIKey of 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile?
The InChIKey is YIMZYWSTSOLFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-17-25-22(15-23(26-17)30-10-12-31-13-11-30)29-8-6-28(7-9-29)21-14-18(16-24)19-4-2-3-5-20(19)27-21/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile?
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile has a molecular weight of 415.50 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 146074701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).