(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride

C14H18Cl2N4O — CID 119576327

IUPAC(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride
SMILESCC1CN(C(=O)c2cnc3ccccc3n2)CCN1.Cl.Cl
InChIInChI=1S/C14H16N4O.2ClH/c1-10-9-18(7-6-15-10)14(19)13-8-16-11-4-2-3-5-12(11)17-13;;/h2-5,8,10,15H,6-7,9H2,1H3;2*1H
InChIKeyTWMROFJZQQTCSJ-UHFFFAOYSA-N
MW329.23 g/mol
LogP1.91
Rot. Bonds1

About (3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride

(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride (PubChem CID 119576327) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride
PubChem CID119576327
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC Name(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride
SMILESCC1CN(C(=O)c2cnc3ccccc3n2)CCN1.Cl.Cl
InChIInChI=1S/C14H16N4O.2ClH/c1-10-9-18(7-6-15-10)14(19)13-8-16-11-4-2-3-5-12(11)17-13;;/h2-5,8,10,15H,6-7,9H2,1H3;2*1H
InChIKeyTWMROFJZQQTCSJ-UHFFFAOYSA-N
XLogP1.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-2-yl)methanone;dihydrochloride
CID 119635006
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone
CID 39952041
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119580533
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 115746338
(3S,4S)-1-(quinoxaline-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;dihydrochloride
CID 120949116
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
CID 103727060
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119579435

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride?
The IUPAC name of (3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride (CID 119576327) is (3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for (3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride?
The canonical SMILES for (3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride is CC1CN(C(=O)c2cnc3ccccc3n2)CCN1.Cl.Cl.
What is the InChIKey of (3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride?
The InChIKey is TWMROFJZQQTCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O.2ClH/c1-10-9-18(7-6-15-10)14(19)13-8-16-11-4-2-3-5-12(11)17-13;;/h2-5,8,10,15H,6-7,9H2,1H3;2*1H.
What are the key properties of (3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride?
(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride has a molecular weight of 329.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119576327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).