3-benzoyl-1-pentylquinoxalin-2-one

C20H20N2O2 — CID 2016912

IUPAC3-benzoyl-1-pentylquinoxalin-2-one
SMILESCCCCCn1c(=O)c(C(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H20N2O2/c1-2-3-9-14-22-17-13-8-7-12-16(17)21-18(20(22)24)19(23)15-10-5-4-6-11-15/h4-8,10-13H,2-3,9,14H2,1H3
InChIKeyFHBULQOSMUGYEW-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.82
Rot. Bonds6

About 3-benzoyl-1-pentylquinoxalin-2-one

3-benzoyl-1-pentylquinoxalin-2-one (PubChem CID 2016912) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-benzoyl-1-pentylquinoxalin-2-one.

Molecular Properties

Compound Name3-benzoyl-1-pentylquinoxalin-2-one
PubChem CID2016912
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-benzoyl-1-pentylquinoxalin-2-one
SMILESCCCCCn1c(=O)c(C(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H20N2O2/c1-2-3-9-14-22-17-13-8-7-12-16(17)21-18(20(22)24)19(23)15-10-5-4-6-11-15/h4-8,10-13H,2-3,9,14H2,1H3
InChIKeyFHBULQOSMUGYEW-UHFFFAOYSA-N
XLogP3.82
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one
CID 102298020
1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
CID 162414456
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
CID 2432558
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one
CID 162660811
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
3,10-dihexylbenzo[g]pteridine-2,4-dione
CID 11783901

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-pentylquinoxalin-2-one?
The IUPAC name of 3-benzoyl-1-pentylquinoxalin-2-one (CID 2016912) is 3-benzoyl-1-pentylquinoxalin-2-one.
What is the SMILES notation for 3-benzoyl-1-pentylquinoxalin-2-one?
The canonical SMILES for 3-benzoyl-1-pentylquinoxalin-2-one is CCCCCn1c(=O)c(C(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of 3-benzoyl-1-pentylquinoxalin-2-one?
The InChIKey is FHBULQOSMUGYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-3-9-14-22-17-13-8-7-12-16(17)21-18(20(22)24)19(23)15-10-5-4-6-11-15/h4-8,10-13H,2-3,9,14H2,1H3.
What are the key properties of 3-benzoyl-1-pentylquinoxalin-2-one?
3-benzoyl-1-pentylquinoxalin-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-pentylquinoxalin-2-one is sourced from PubChem (CID 2016912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).