1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one

C17H17N3O2 — CID 174769465

IUPAC1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one
SMILESCC(O)Nc1nc2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H17N3O2/c1-12(21)18-16-17(22)20(11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)19-16/h2-10,12,21H,11H2,1H3,(H,18,19)
InChIKeyPQSCUBXKARCDQS-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.19
Rot. Bonds4

About 1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one

1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one (PubChem CID 174769465) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one
PubChem CID174769465
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one
SMILESCC(O)Nc1nc2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H17N3O2/c1-12(21)18-16-17(22)20(11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)19-16/h2-10,12,21H,11H2,1H3,(H,18,19)
InChIKeyPQSCUBXKARCDQS-UHFFFAOYSA-N
XLogP2.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-methylquinoxalin-2-one
CID 139051924
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
CID 67481732
1-benzyl-3-piperidin-1-ylquinoxalin-2-one
CID 174769757
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46324693
1-benzyl-3-phenylsulfanylquinoxalin-2-one
CID 162371396
4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054692
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-ethylpiperidine-4-carboxamide
CID 53062468

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one?
The IUPAC name of 1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one (CID 174769465) is 1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one.
What is the SMILES notation for 1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one?
The canonical SMILES for 1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one is CC(O)Nc1nc2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one?
The InChIKey is PQSCUBXKARCDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12(21)18-16-17(22)20(11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)19-16/h2-10,12,21H,11H2,1H3,(H,18,19).
What are the key properties of 1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one?
1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one is sourced from PubChem (CID 174769465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).