1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one

C29H30N4O3 — CID 50837579

IUPAC1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one
SMILESCOc1ccc(CCC(=O)N2CCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)CC2)cc1
InChIInChI=1S/C29H30N4O3/c1-36-24-14-11-22(12-15-24)13-16-27(34)31-17-19-32(20-18-31)28-29(35)33(21-23-7-3-2-4-8-23)26-10-6-5-9-25(26)30-28/h2-12,14-15H,13,16-21H2,1H3
InChIKeyXNMBHNBLZNHJSD-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.73
Rot. Bonds7

About 1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one

1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one (PubChem CID 50837579) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one
PubChem CID50837579
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one
SMILESCOc1ccc(CCC(=O)N2CCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)CC2)cc1
InChIInChI=1S/C29H30N4O3/c1-36-24-14-11-22(12-15-24)13-16-27(34)31-17-19-32(20-18-31)28-29(35)33(21-23-7-3-2-4-8-23)26-10-6-5-9-25(26)30-28/h2-12,14-15H,13,16-21H2,1H3
InChIKeyXNMBHNBLZNHJSD-UHFFFAOYSA-N
XLogP3.73
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
CID 67481732
1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523
1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837561
4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194606
1-benzyl-3-piperidin-1-ylquinoxalin-2-one
CID 174769757
1-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-methylquinoxalin-2-one
CID 46324692
4-benzyl-1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 22423849
4-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 53070039
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 30444897
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
1-benzyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393085
1-benzyl-3-[4-(3-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837506

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one?
The IUPAC name of 1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one (CID 50837579) is 1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one.
What is the SMILES notation for 1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one?
The canonical SMILES for 1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one is COc1ccc(CCC(=O)N2CCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)CC2)cc1.
What is the InChIKey of 1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one?
The InChIKey is XNMBHNBLZNHJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-36-24-14-11-22(12-15-24)13-16-27(34)31-17-19-32(20-18-31)28-29(35)33(21-23-7-3-2-4-8-23)26-10-6-5-9-25(26)30-28/h2-12,14-15H,13,16-21H2,1H3.
What are the key properties of 1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one?
1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one has a molecular weight of 482.58 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one is sourced from PubChem (CID 50837579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).