2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

C24H29N5O2 — CID 46295505

IUPAC2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCc1nc2ccccc2n(CC(=O)NCCCN2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C24H29N5O2/c1-19-24(31)29(22-11-6-5-10-21(22)26-19)18-23(30)25-12-7-13-27-14-16-28(17-15-27)20-8-3-2-4-9-20/h2-6,8-11H,7,12-18H2,1H3,(H,25,30)
InChIKeyJBVWTQULPCORCO-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.03
Rot. Bonds7

About 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide (PubChem CID 46295505) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
PubChem CID46295505
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCc1nc2ccccc2n(CC(=O)NCCCN2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C24H29N5O2/c1-19-24(31)29(22-11-6-5-10-21(22)26-19)18-23(30)25-12-7-13-27-14-16-28(17-15-27)20-8-3-2-4-9-20/h2-6,8-11H,7,12-18H2,1H3,(H,25,30)
InChIKeyJBVWTQULPCORCO-UHFFFAOYSA-N
XLogP2.03
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324439
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 46324456
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38449520
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617104
N-[3-(diethylamino)propyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295469
2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392643
2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46427247
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324614
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 92869637
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324607
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 44828480

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide (CID 46295505) is 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide is Cc1nc2ccccc2n(CC(=O)NCCCN2CCN(c3ccccc3)CC2)c1=O.
What is the InChIKey of 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The InChIKey is JBVWTQULPCORCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-19-24(31)29(22-11-6-5-10-21(22)26-19)18-23(30)25-12-7-13-27-14-16-28(17-15-27)20-8-3-2-4-9-20/h2-6,8-11H,7,12-18H2,1H3,(H,25,30).
What are the key properties of 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 46295505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).