6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile

C20H20N6O — CID 133336885

IUPAC6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(N3CCN(c4cnn(C)c4)C(=O)C3)c2c1
InChIInChI=1S/C20H20N6O/c1-13-6-14(2)19-17(7-13)20(15(8-21)9-22-19)25-4-5-26(18(27)12-25)16-10-23-24(3)11-16/h6-7,9-11H,4-5,12H2,1-3H3
InChIKeyYBPCYVRFCZQEOF-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.31
Rot. Bonds2

About 6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile

6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 133336885) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
PubChem CID133336885
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(N3CCN(c4cnn(C)c4)C(=O)C3)c2c1
InChIInChI=1S/C20H20N6O/c1-13-6-14(2)19-17(7-13)20(15(8-21)9-22-19)25-4-5-26(18(27)12-25)16-10-23-24(3)11-16/h6-7,9-11H,4-5,12H2,1-3H3
InChIKeyYBPCYVRFCZQEOF-UHFFFAOYSA-N
XLogP2.31
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
CID 133336920
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956
1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one
CID 133336905
6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133310578
4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-6,8-dimethylquinoline-3-carbonitrile
CID 133310643
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-nitrobenzonitrile
CID 71861507
5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile
CID 133336898
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054198
6-fluoro-8-methyl-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]quinoline-3-carbonitrile
CID 133310553
6,8-dimethyl-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile
CID 133342867

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile (CID 133336885) is 6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile is Cc1cc(C)c2ncc(C#N)c(N3CCN(c4cnn(C)c4)C(=O)C3)c2c1.
What is the InChIKey of 6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is YBPCYVRFCZQEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-6-14(2)19-17(7-13)20(15(8-21)9-22-19)25-4-5-26(18(27)12-25)16-10-23-24(3)11-16/h6-7,9-11H,4-5,12H2,1-3H3.
What are the key properties of 6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile?
6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 360.42 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133336885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).