1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone

C20H23N5O — CID 169417416

IUPAC1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nc(-c4ccnn4C)cc(C)c3c2)CC1
InChIInChI=1S/C20H23N5O/c1-14-12-19(20-6-7-21-23(20)3)22-18-5-4-16(13-17(14)18)25-10-8-24(9-11-25)15(2)26/h4-7,12-13H,8-11H2,1-3H3
InChIKeyPLVYIPIVOWACDM-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.61
Rot. Bonds2

About 1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone

1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone (PubChem CID 169417416) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone
PubChem CID169417416
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nc(-c4ccnn4C)cc(C)c3c2)CC1
InChIInChI=1S/C20H23N5O/c1-14-12-19(20-6-7-21-23(20)3)22-18-5-4-16(13-17(14)18)25-10-8-24(9-11-25)15(2)26/h4-7,12-13H,8-11H2,1-3H3
InChIKeyPLVYIPIVOWACDM-UHFFFAOYSA-N
XLogP2.61
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
CID 169422573
1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
CID 169411618
formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one
CID 171339251
N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 169417675
3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole
CID 169416921
1-[(3S)-3-[4-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956672
4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline
CID 169413934
formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 171339492
4-[4-methyl-2-(1-methylimidazol-2-yl)quinolin-6-yl]morpholine
CID 169417677
1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124944395
1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124998664
2,4-dimethyl-6-(2-methylpyrazol-3-yl)pyridine
CID 90367967

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone (CID 169417416) is 1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc3nc(-c4ccnn4C)cc(C)c3c2)CC1.
What is the InChIKey of 1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone?
The InChIKey is PLVYIPIVOWACDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-12-19(20-6-7-21-23(20)3)22-18-5-4-16(13-17(14)18)25-10-8-24(9-11-25)15(2)26/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone?
1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone has a molecular weight of 349.44 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 169417416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).