3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one

C26H32N4O2 — CID 46324759

IUPAC3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one
SMILESCCCN1CCN(C(=O)c2ccc(Cn3c(=O)c(C)nc4cc(C)c(C)cc43)cc2)CC1
InChIInChI=1S/C26H32N4O2/c1-5-10-28-11-13-29(14-12-28)26(32)22-8-6-21(7-9-22)17-30-24-16-19(3)18(2)15-23(24)27-20(4)25(30)31/h6-9,15-16H,5,10-14,17H2,1-4H3
InChIKeyBPVSJBSDWSBMER-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.54
Rot. Bonds5

About 3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one

3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one (PubChem CID 46324759) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one.

Molecular Properties

Compound Name3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one
PubChem CID46324759
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one
SMILESCCCN1CCN(C(=O)c2ccc(Cn3c(=O)c(C)nc4cc(C)c(C)cc43)cc2)CC1
InChIInChI=1S/C26H32N4O2/c1-5-10-28-11-13-29(14-12-28)26(32)22-8-6-21(7-9-22)17-30-24-16-19(3)18(2)15-23(24)27-20(4)25(30)31/h6-9,15-16H,5,10-14,17H2,1-4H3
InChIKeyBPVSJBSDWSBMER-UHFFFAOYSA-N
XLogP3.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one with MolForge

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Related Compounds

1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324746
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324543
(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 39855099
N-[(4-methylsulfanylphenyl)methyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324801
1-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-methylquinoxalin-2-one
CID 46324692
1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058369
3,6,7-trimethyl-1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 46324538
[4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915135
[4-(methylsulfonylmethyl)phenyl]-(4-propylpiperazin-1-yl)methanone
CID 112790428
5-benzyl-7-(4-butylpiperazine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
CID 91903264
1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-prop-2-enylquinoxaline-2,3-dione
CID 50817013
6-(6-benzyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-9-carbonyl)-1-ethyl-3-methylquinoxalin-2-one
CID 133072113

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one?
The IUPAC name of 3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one (CID 46324759) is 3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one.
What is the SMILES notation for 3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one?
The canonical SMILES for 3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one is CCCN1CCN(C(=O)c2ccc(Cn3c(=O)c(C)nc4cc(C)c(C)cc43)cc2)CC1.
What is the InChIKey of 3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one?
The InChIKey is BPVSJBSDWSBMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-5-10-28-11-13-29(14-12-28)26(32)22-8-6-21(7-9-22)17-30-24-16-19(3)18(2)15-23(24)27-20(4)25(30)31/h6-9,15-16H,5,10-14,17H2,1-4H3.
What are the key properties of 3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one?
3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one has a molecular weight of 432.57 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one is sourced from PubChem (CID 46324759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).