1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one

C24H28N4O5 — CID 46364985

IUPAC1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one
SMILESCOc1ccc(CN2CCN(C(=O)c3nc4ccccc4n(C)c3=O)CC2)c(OC)c1OC
InChIInChI=1S/C24H28N4O5/c1-26-18-8-6-5-7-17(18)25-20(23(26)29)24(30)28-13-11-27(12-14-28)15-16-9-10-19(31-2)22(33-4)21(16)32-3/h5-10H,11-15H2,1-4H3
InChIKeyNHPBCFKYQBTEDM-UHFFFAOYSA-N
MW452.51 g/mol
LogP1.92
Rot. Bonds6

About 1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one

1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one (PubChem CID 46364985) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one
PubChem CID46364985
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one
SMILESCOc1ccc(CN2CCN(C(=O)c3nc4ccccc4n(C)c3=O)CC2)c(OC)c1OC
InChIInChI=1S/C24H28N4O5/c1-26-18-8-6-5-7-17(18)25-20(23(26)29)24(30)28-13-11-27(12-14-28)15-16-9-10-19(31-2)22(33-4)21(16)32-3/h5-10H,11-15H2,1-4H3
InChIKeyNHPBCFKYQBTEDM-UHFFFAOYSA-N
XLogP1.92
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
oxalic acid;(4-phenylphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17366111
(2-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122393
1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
CID 46365024
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46637456
8-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 22553393
(5,6,7-trimethoxynaphthalen-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110182317
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46628525
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 38093464
N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 24745617

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one?
The IUPAC name of 1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one (CID 46364985) is 1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one is COc1ccc(CN2CCN(C(=O)c3nc4ccccc4n(C)c3=O)CC2)c(OC)c1OC.
What is the InChIKey of 1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one?
The InChIKey is NHPBCFKYQBTEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-26-18-8-6-5-7-17(18)25-20(23(26)29)24(30)28-13-11-27(12-14-28)15-16-9-10-19(31-2)22(33-4)21(16)32-3/h5-10H,11-15H2,1-4H3.
What are the key properties of 1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one?
1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one has a molecular weight of 452.51 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one is sourced from PubChem (CID 46364985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).