2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one

C20H23N5O3 — CID 16675235

IUPAC2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCC(=O)N1CCN(C(=O)Cn2nc3c(C)cc4cc(C)ccc4n3c2=O)CC1
InChIInChI=1S/C20H23N5O3/c1-13-4-5-17-16(10-13)11-14(2)19-21-24(20(28)25(17)19)12-18(27)23-8-6-22(7-9-23)15(3)26/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyGYOXXDUYJQZEHC-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.96
Rot. Bonds2

About 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one

2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 16675235) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID16675235
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCC(=O)N1CCN(C(=O)Cn2nc3c(C)cc4cc(C)ccc4n3c2=O)CC1
InChIInChI=1S/C20H23N5O3/c1-13-4-5-17-16(10-13)11-14(2)19-21-24(20(28)25(17)19)12-18(27)23-8-6-22(7-9-23)15(3)26/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyGYOXXDUYJQZEHC-UHFFFAOYSA-N
XLogP0.96
TPSA79.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one with MolForge

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Related Compounds

8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 16675154
7-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-3-one
CID 16675158
1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
CID 63555836
2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 126468288
N-[2-(4,8-dimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46953007
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-4-one
CID 100742023
1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one
CID 110680239
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione
CID 71956020
5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 16675961
N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46960299
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
CID 16676033
2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 116546775

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 16675235) is 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one is CC(=O)N1CCN(C(=O)Cn2nc3c(C)cc4cc(C)ccc4n3c2=O)CC1.
What is the InChIKey of 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is GYOXXDUYJQZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-4-5-17-16(10-13)11-14(2)19-21-24(20(28)25(17)19)12-18(27)23-8-6-22(7-9-23)15(3)26/h4-5,10-11H,6-9,12H2,1-3H3.
What are the key properties of 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 381.44 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 16675235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).