1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one

C18H16N6O2 — CID 167823767

IUPAC1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one
SMILESCCn1c(=O)c(NCc2nc(-c3ccncc3)no2)nc2ccccc21
InChIInChI=1S/C18H16N6O2/c1-2-24-14-6-4-3-5-13(14)21-17(18(24)25)20-11-15-22-16(23-26-15)12-7-9-19-10-8-12/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeyNTKKOGPVVNPORI-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.47
Rot. Bonds5

About 1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one

1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one (PubChem CID 167823767) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one
PubChem CID167823767
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one
SMILESCCn1c(=O)c(NCc2nc(-c3ccncc3)no2)nc2ccccc21
InChIInChI=1S/C18H16N6O2/c1-2-24-14-6-4-3-5-13(14)21-17(18(24)25)20-11-15-22-16(23-26-15)12-7-9-19-10-8-12/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeyNTKKOGPVVNPORI-UHFFFAOYSA-N
XLogP2.47
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one with MolForge

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Related Compounds

1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one
CID 138008430
N-(1-propylbenzimidazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17492735
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24549115
3-propyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one
CID 16583234
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
N-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 75530724
3-chloro-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60837251
6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile
CID 133392021
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 752713
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 4976105

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one?
The IUPAC name of 1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one (CID 167823767) is 1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one is CCn1c(=O)c(NCc2nc(-c3ccncc3)no2)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one?
The InChIKey is NTKKOGPVVNPORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-2-24-14-6-4-3-5-13(14)21-17(18(24)25)20-11-15-22-16(23-26-15)12-7-9-19-10-8-12/h3-10H,2,11H2,1H3,(H,20,21).
What are the key properties of 1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one?
1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one has a molecular weight of 348.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one is sourced from PubChem (CID 167823767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).