(4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone

C20H25N5O2 — CID 56894793

IUPAC(4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone
SMILESCN1CCN(C(=O)C2CNCCN2C(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H25N5O2/c1-23-10-12-24(13-11-23)20(27)18-14-21-8-9-25(18)19(26)17-7-6-15-4-2-3-5-16(15)22-17/h2-7,18,21H,8-14H2,1H3
InChIKeyUZBLAUMELNQYNE-UHFFFAOYSA-N
MW367.45 g/mol
LogP0.42
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone

(4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone (PubChem CID 56894793) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone
PubChem CID56894793
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone
SMILESCN1CCN(C(=O)C2CNCCN2C(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H25N5O2/c1-23-10-12-24(13-11-23)20(27)18-14-21-8-9-25(18)19(26)17-7-6-15-4-2-3-5-16(15)22-17/h2-7,18,21H,8-14H2,1H3
InChIKeyUZBLAUMELNQYNE-UHFFFAOYSA-N
XLogP0.42
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
CID 95723967
[2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 110109299
[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 129349791
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 126766991
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone
CID 122331673
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide
CID 30336602
[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 72864038
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone (CID 56894793) is (4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone is CN1CCN(C(=O)C2CNCCN2C(=O)c2ccc3ccccc3n2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone?
The InChIKey is UZBLAUMELNQYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23-10-12-24(13-11-23)20(27)18-14-21-8-9-25(18)19(26)17-7-6-15-4-2-3-5-16(15)22-17/h2-7,18,21H,8-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone is sourced from PubChem (CID 56894793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).