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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Related Compounds

9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163308018
1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one
CID 91844338
3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56886578
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70725851
1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one
CID 155961607
formic acid;5-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 163334328
7-chloro-1-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
CID 56860890
N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
CID 95210015
2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol
CID 15413989
3-[[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]methyl]-1-methylquinolin-2-one
CID 175643050
3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one
CID 164688908

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).