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

C22H33N5O2 — CID 46324456

IUPAC3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
SMILESCCCN1CCN(CCCNC(=O)CCn2c(=O)c(C)nc3ccccc32)CC1
InChIInChI=1S/C22H33N5O2/c1-3-11-25-14-16-26(17-15-25)12-6-10-23-21(28)9-13-27-20-8-5-4-7-19(20)24-18(2)22(27)29/h4-5,7-8H,3,6,9-17H2,1-2H3,(H,23,28)
InChIKeyZGZPRPGQLBMOLX-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.63
Rot. Bonds9

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

3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide (PubChem CID 46324456) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
PubChem CID46324456
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
SMILESCCCN1CCN(CCCNC(=O)CCn2c(=O)c(C)nc3ccccc32)CC1
InChIInChI=1S/C22H33N5O2/c1-3-11-25-14-16-26(17-15-25)12-6-10-23-21(28)9-13-27-20-8-5-4-7-19(20)24-18(2)22(27)29/h4-5,7-8H,3,6,9-17H2,1-2H3,(H,23,28)
InChIKeyZGZPRPGQLBMOLX-UHFFFAOYSA-N
XLogP1.63
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.63
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-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 92869637
2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46295505
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324614
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324607
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324455
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
N-(2-ethylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324349
N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324354
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide (CID 46324456) is 3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide is CCCN1CCN(CCCNC(=O)CCn2c(=O)c(C)nc3ccccc32)CC1.
What is the InChIKey of 3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide?
The InChIKey is ZGZPRPGQLBMOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-3-11-25-14-16-26(17-15-25)12-6-10-23-21(28)9-13-27-20-8-5-4-7-19(20)24-18(2)22(27)29/h4-5,7-8H,3,6,9-17H2,1-2H3,(H,23,28).
What are the key properties of 3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide?
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide has a molecular weight of 399.54 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 46324456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).