3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one

C17H23N3O2 — CID 91765227

IUPAC3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(CN2CCN(CCO)CC2)cc2ccccc21
InChIInChI=1S/C17H23N3O2/c1-18-16-5-3-2-4-14(16)12-15(17(18)22)13-20-8-6-19(7-9-20)10-11-21/h2-5,12,21H,6-11,13H2,1H3
InChIKeySEZZXZATWHRXND-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.65
Rot. Bonds4

About 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one

3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one (PubChem CID 91765227) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one
PubChem CID91765227
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(CN2CCN(CCO)CC2)cc2ccccc21
InChIInChI=1S/C17H23N3O2/c1-18-16-5-3-2-4-14(16)12-15(17(18)22)13-20-8-6-19(7-9-20)10-11-21/h2-5,12,21H,6-11,13H2,1H3
InChIKeySEZZXZATWHRXND-UHFFFAOYSA-N
XLogP0.65
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one?
The IUPAC name of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one (CID 91765227) is 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one is Cn1c(=O)c(CN2CCN(CCO)CC2)cc2ccccc21.
What is the InChIKey of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one?
The InChIKey is SEZZXZATWHRXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-18-16-5-3-2-4-14(16)12-15(17(18)22)13-20-8-6-19(7-9-20)10-11-21/h2-5,12,21H,6-11,13H2,1H3.
What are the key properties of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one?
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one has a molecular weight of 301.39 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 91765227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).