N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide

C25H30ClN5O2 — CID 46324439

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1nc2ccccc2n(CCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c1=O
InChIInChI=1S/C25H30ClN5O2/c1-19-25(33)31(23-9-3-2-8-22(23)28-19)13-10-24(32)27-11-5-12-29-14-16-30(17-15-29)21-7-4-6-20(26)18-21/h2-4,6-9,18H,5,10-17H2,1H3,(H,27,32)
InChIKeyUBWYJDZVRARNOK-UHFFFAOYSA-N
MW468.00 g/mol
LogP3.08
Rot. Bonds8

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide (PubChem CID 46324439) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
PubChem CID46324439
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1nc2ccccc2n(CCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c1=O
InChIInChI=1S/C25H30ClN5O2/c1-19-25(33)31(23-9-3-2-8-22(23)28-19)13-10-24(32)27-11-5-12-29-14-16-30(17-15-29)21-7-4-6-20(26)18-21/h2-4,6-9,18H,5,10-17H2,1H3,(H,27,32)
InChIKeyUBWYJDZVRARNOK-UHFFFAOYSA-N
XLogP3.08
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 53.08
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

3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 46324456
2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46295505
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
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one
CID 46324340
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide
CID 71686527
N-(5-chloro-2-methylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324339
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)propanamide
CID 20881106
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617049
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide (CID 46324439) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide is Cc1nc2ccccc2n(CCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c1=O.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The InChIKey is UBWYJDZVRARNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-19-25(33)31(23-9-3-2-8-22(23)28-19)13-10-24(32)27-11-5-12-29-14-16-30(17-15-29)21-7-4-6-20(26)18-21/h2-4,6-9,18H,5,10-17H2,1H3,(H,27,32).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide has a molecular weight of 468.00 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 46324439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).