3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide

C19H24N6O2 — CID 91951089

IUPAC3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCN(C)c1nc2ccccc2n(CCC(=O)NCCCn2ccnc2)c1=O
InChIInChI=1S/C19H24N6O2/c1-23(2)18-19(27)25(16-7-4-3-6-15(16)22-18)12-8-17(26)21-9-5-11-24-13-10-20-14-24/h3-4,6-7,10,13-14H,5,8-9,11-12H2,1-2H3,(H,21,26)
InChIKeyPNBFUPJKCIOLCE-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.26
Rot. Bonds8

About 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide

3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 91951089) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID91951089
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCN(C)c1nc2ccccc2n(CCC(=O)NCCCn2ccnc2)c1=O
InChIInChI=1S/C19H24N6O2/c1-23(2)18-19(27)25(16-7-4-3-6-15(16)22-18)12-8-17(26)21-9-5-11-24-13-10-20-14-24/h3-4,6-7,10,13-14H,5,8-9,11-12H2,1-2H3,(H,21,26)
InChIKeyPNBFUPJKCIOLCE-UHFFFAOYSA-N
XLogP1.26
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide
CID 91951115
N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 86975702
N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 51328575
N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide
CID 35513225
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352474
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
1-(2-imidazol-1-ylethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111353120
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 46324456
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide (CID 91951089) is 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide is CN(C)c1nc2ccccc2n(CCC(=O)NCCCn2ccnc2)c1=O.
What is the InChIKey of 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is PNBFUPJKCIOLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-23(2)18-19(27)25(16-7-4-3-6-15(16)22-18)12-8-17(26)21-9-5-11-24-13-10-20-14-24/h3-4,6-7,10,13-14H,5,8-9,11-12H2,1-2H3,(H,21,26).
What are the key properties of 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide?
3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 368.44 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 91951089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).