N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide

C23H27N3O3 — CID 50838486

IUPACN-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
SMILESCCCn1c(=O)c(-c2ccc(C(=O)NCCCOCC)cc2)nc2ccccc21
InChIInChI=1S/C23H27N3O3/c1-3-15-26-20-9-6-5-8-19(20)25-21(23(26)28)17-10-12-18(13-11-17)22(27)24-14-7-16-29-4-2/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,24,27)
InChIKeyKZQTXNZLVGMBHK-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.63
Rot. Bonds9

About N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide

N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide (PubChem CID 50838486) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
PubChem CID50838486
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
SMILESCCCn1c(=O)c(-c2ccc(C(=O)NCCCOCC)cc2)nc2ccccc21
InChIInChI=1S/C23H27N3O3/c1-3-15-26-20-9-6-5-8-19(20)25-21(23(26)28)17-10-12-18(13-11-17)22(27)24-14-7-16-29-4-2/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,24,27)
InChIKeyKZQTXNZLVGMBHK-UHFFFAOYSA-N
XLogP3.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 46395254
4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
CID 50838506
N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838498
N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393924
4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030905
4-bromo-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991537
4-fluoro-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991699
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007225
4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977559
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951424
1-benzyl-N-(3-ethoxypropyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058345

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide?
The IUPAC name of N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide (CID 50838486) is N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide is CCCn1c(=O)c(-c2ccc(C(=O)NCCCOCC)cc2)nc2ccccc21.
What is the InChIKey of N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide?
The InChIKey is KZQTXNZLVGMBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-15-26-20-9-6-5-8-19(20)25-21(23(26)28)17-10-12-18(13-11-17)22(27)24-14-7-16-29-4-2/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,24,27).
What are the key properties of N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide?
N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide is sourced from PubChem (CID 50838486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).