3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one

C24H28N4O3 — CID 53131518

IUPAC3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)c3ccc(OC)cc3C)CC2)nc2ccccc21
InChIInChI=1S/C24H28N4O3/c1-4-11-28-21-8-6-5-7-20(21)25-22(24(28)30)26-12-14-27(15-13-26)23(29)19-10-9-18(31-3)16-17(19)2/h5-10,16H,4,11-15H2,1-3H3
InChIKeyGXAKOPWZFZPAAX-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.09
Rot. Bonds5

About 3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one

3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one (PubChem CID 53131518) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
PubChem CID53131518
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)c3ccc(OC)cc3C)CC2)nc2ccccc21
InChIInChI=1S/C24H28N4O3/c1-4-11-28-21-8-6-5-7-20(21)25-22(24(28)30)26-12-14-27(15-13-26)23(29)19-10-9-18(31-3)16-17(19)2/h5-10,16H,4,11-15H2,1-3H3
InChIKeyGXAKOPWZFZPAAX-UHFFFAOYSA-N
XLogP3.09
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 50837525
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511
1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 53131492
3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131490
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53001361
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
CID 53131556
1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837441
3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131475
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one
CID 50837579
1-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-methylquinoxalin-2-one
CID 46324692

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The IUPAC name of 3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one (CID 53131518) is 3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one.
What is the SMILES notation for 3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The canonical SMILES for 3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one is CCCn1c(=O)c(N2CCN(C(=O)c3ccc(OC)cc3C)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The InChIKey is GXAKOPWZFZPAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-11-28-21-8-6-5-7-20(21)25-22(24(28)30)26-12-14-27(15-13-26)23(29)19-10-9-18(31-3)16-17(19)2/h5-10,16H,4,11-15H2,1-3H3.
What are the key properties of 3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one has a molecular weight of 420.51 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one is sourced from PubChem (CID 53131518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).