5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C21H24N6O2 — CID 69455885

IUPAC5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(CN3CCN(CCO)CC3)c3ccc(-c4ccc[nH]4)cc3n12
InChIInChI=1S/C21H24N6O2/c28-11-10-25-6-8-26(9-7-25)14-16-13-20-23-24-21(29)27(20)19-12-15(3-4-17(16)19)18-2-1-5-22-18/h1-5,12-13,22,28H,6-11,14H2,(H,24,29)
InChIKeyHQJHWABNLMSPPF-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.28
Rot. Bonds5

About 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69455885) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID69455885
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(CN3CCN(CCO)CC3)c3ccc(-c4ccc[nH]4)cc3n12
InChIInChI=1S/C21H24N6O2/c28-11-10-25-6-8-26(9-7-25)14-16-13-20-23-24-21(29)27(20)19-12-15(3-4-17(16)19)18-2-1-5-22-18/h1-5,12-13,22,28H,6-11,14H2,(H,24,29)
InChIKeyHQJHWABNLMSPPF-UHFFFAOYSA-N
XLogP1.28
TPSA92.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one with MolForge

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Related Compounds

5-Methyl-8-(1h-Pyrrol-2-Yl)[1,2,4]triazolo[4,3-A]quinolin-1(2h)-One
CID 46934729
5-(Hydroxymethyl)-8-(1h-Pyrrol-2-Yl)-2h-[1,2,4]triazolo[4,3-A]quinolin-1-One
CID 57345538
5-(aminomethyl)-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 9993745
5-amino-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 10355488
5-methyl-8-(pyridin-3-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865496
5-methyl-8-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865546
8-(1H-imidazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865547
5-[[(2-Hydroxyethyl)amino]methyl]-8-(1H-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 69453726
5-[(4-methylpiperazin-1-yl)methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69454072
5-[(2-aminoethylamino)methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69454772
N-[2-(methylamino)ethyl]-1-oxo-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
CID 69454819
5-[[2-(dimethylamino)ethylamino]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69454833

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69455885) is 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is O=c1[nH]nc2cc(CN3CCN(CCO)CC3)c3ccc(-c4ccc[nH]4)cc3n12.
What is the InChIKey of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is HQJHWABNLMSPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-11-10-25-6-8-26(9-7-25)14-16-13-20-23-24-21(29)27(20)19-12-15(3-4-17(16)19)18-2-1-5-22-18/h1-5,12-13,22,28H,6-11,14H2,(H,24,29).
What are the key properties of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 392.46 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69455885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).