3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine

C47H35N15O3 — CID 159054028

IUPAC3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1-c1nnc(-c2ccccc2)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccn2)o1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H11N5O.C16H14N4O.C15H10N6O/c17-14-13(18-11-8-4-5-9-12(11)19-14)16-21-20-15(22-16)10-6-2-1-3-7-10;17-15-14(19-12-8-4-5-9-13(12)20-15)16(21)18-10-11-6-2-1-3-7-11;16-13-12(18-9-5-1-2-6-10(9)19-13)15-21-20-14(22-15)11-7-3-4-8-17-11/h1-9H,(H2,17,19);1-9H,10H2,(H2,17,20)(H,18,21);1-8H,(H2,16,19)
InChIKeyJXQCDMYQWDTNSS-UHFFFAOYSA-N
MW857.90 g/mol
LogP7.39
Rot. Bonds7

About 3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine

3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine (PubChem CID 159054028) has the molecular formula C47H35N15O3 and a molecular weight of 857.90 g/mol. Its IUPAC name is 3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine
PubChem CID159054028
Molecular FormulaC47H35N15O3
Molecular Weight857.90 g/mol
Exact Mass857.30
IUPAC Name3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1-c1nnc(-c2ccccc2)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccn2)o1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H11N5O.C16H14N4O.C15H10N6O/c17-14-13(18-11-8-4-5-9-12(11)19-14)16-21-20-15(22-16)10-6-2-1-3-7-10;17-15-14(19-12-8-4-5-9-13(12)20-15)16(21)18-10-11-6-2-1-3-7-11;16-13-12(18-9-5-1-2-6-10(9)19-13)15-21-20-14(22-15)11-7-3-4-8-17-11/h1-9H,(H2,17,19);1-9H,10H2,(H2,17,20)(H,18,21);1-8H,(H2,16,19)
InChIKeyJXQCDMYQWDTNSS-UHFFFAOYSA-N
XLogP7.39
TPSA275.23 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.90
LogP ≤ 57.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone
CID 59471711
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
CID 59472331
5-[5-Amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one
CID 54674974
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 59471645
4-[5-Amino-6-[5-(6-amino-2-pyridyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-n,n-dimethyl-benzamide
CID 59471682
[5-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-pyridinyl]-(1,4-diazepan-1-yl)methanone
CID 59471769
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-ethylpiperazin-1-yl)methanone
CID 59471772
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 59471783
N-[3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]acetamide
CID 59471842
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone
CID 59471871
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine
CID 59471926
5-(6-Morpholino-3-pyridyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 59471946

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine?
The IUPAC name of 3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine (CID 159054028) is 3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine.
What is the SMILES notation for 3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine?
The canonical SMILES for 3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine is Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccn2)o1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1.
What is the InChIKey of 3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine?
The InChIKey is JXQCDMYQWDTNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O.C16H14N4O.C15H10N6O/c17-14-13(18-11-8-4-5-9-12(11)19-14)16-21-20-15(22-16)10-6-2-1-3-7-10;17-15-14(19-12-8-4-5-9-13(12)20-15)16(21)18-10-11-6-2-1-3-7-11;16-13-12(18-9-5-1-2-6-10(9)19-13)15-21-20-14(22-15)11-7-3-4-8-17-11/h1-9H,(H2,17,19);1-9H,10H2,(H2,17,20)(H,18,21);1-8H,(H2,16,19).
What are the key properties of 3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine?
3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine has a molecular weight of 857.90 g/mol, XLogP of 7.39, 7 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzylquinoxaline-2-carboxamide;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine is sourced from PubChem (CID 159054028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).