2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline

C81H64N14O — CID 161376340

IUPAC2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline
SMILESc1ccc(-c2cccc(CCc3cnc4ccccc4n3)n2)cc1.c1ccc(-c2ncc(CCc3cnc4ccccc4n3)o2)cc1.c1ccc(-n2ccc(CCc3cnc4ccccc4n3)n2)cc1.c1cnc2c(c1)ccc1ccc(CCc3cnc4ccccc4n3)nc12
InChIInChI=1S/C22H16N4.C21H17N3.C19H16N4.C19H15N3O/c1-2-6-20-19(5-1)24-14-18(25-20)12-11-17-10-9-16-8-7-15-4-3-13-23-21(15)22(16)26-17;1-2-7-16(8-3-1)19-12-6-9-17(23-19)13-14-18-15-22-20-10-4-5-11-21(20)24-18;1-2-6-17(7-3-1)23-13-12-15(22-23)10-11-16-14-20-18-8-4-5-9-19(18)21-16;1-2-6-14(7-3-1)19-21-13-16(23-19)11-10-15-12-20-17-8-4-5-9-18(17)22-15/h1-10,13-14H,11-12H2;1-12,15H,13-14H2;1-9,12-14H,10-11H2;1-9,12-13H,10-11H2
InChIKeyVRDBPPQJPZWJMU-UHFFFAOYSA-N
MW1249.50 g/mol
LogP16.66
Rot. Bonds15

About 2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline

2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline (PubChem CID 161376340) has the molecular formula C81H64N14O and a molecular weight of 1249.50 g/mol. Its IUPAC name is 2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline
PubChem CID161376340
Molecular FormulaC81H64N14O
Molecular Weight1249.50 g/mol
Exact Mass1248.54
IUPAC Name2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline
SMILESc1ccc(-c2cccc(CCc3cnc4ccccc4n3)n2)cc1.c1ccc(-c2ncc(CCc3cnc4ccccc4n3)o2)cc1.c1ccc(-n2ccc(CCc3cnc4ccccc4n3)n2)cc1.c1cnc2c(c1)ccc1ccc(CCc3cnc4ccccc4n3)nc12
InChIInChI=1S/C22H16N4.C21H17N3.C19H16N4.C19H15N3O/c1-2-6-20-19(5-1)24-14-18(25-20)12-11-17-10-9-16-8-7-15-4-3-13-23-21(15)22(16)26-17;1-2-7-16(8-3-1)19-12-6-9-17(23-19)13-14-18-15-22-20-10-4-5-11-21(20)24-18;1-2-6-17(7-3-1)23-13-12-15(22-23)10-11-16-14-20-18-8-4-5-9-19(18)21-16;1-2-6-14(7-3-1)19-21-13-16(23-19)11-10-15-12-20-17-8-4-5-9-18(17)22-15/h1-10,13-14H,11-12H2;1-12,15H,13-14H2;1-9,12-14H,10-11H2;1-9,12-13H,10-11H2
InChIKeyVRDBPPQJPZWJMU-UHFFFAOYSA-N
XLogP16.66
TPSA185.64 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.50
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
The IUPAC name of 2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline (CID 161376340) is 2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline.
What is the SMILES notation for 2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
The canonical SMILES for 2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline is c1ccc(-c2cccc(CCc3cnc4ccccc4n3)n2)cc1.c1ccc(-c2ncc(CCc3cnc4ccccc4n3)o2)cc1.c1ccc(-n2ccc(CCc3cnc4ccccc4n3)n2)cc1.c1cnc2c(c1)ccc1ccc(CCc3cnc4ccccc4n3)nc12.
What is the InChIKey of 2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
The InChIKey is VRDBPPQJPZWJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4.C21H17N3.C19H16N4.C19H15N3O/c1-2-6-20-19(5-1)24-14-18(25-20)12-11-17-10-9-16-8-7-15-4-3-13-23-21(15)22(16)26-17;1-2-7-16(8-3-1)19-12-6-9-17(23-19)13-14-18-15-22-20-10-4-5-11-21(20)24-18;1-2-6-17(7-3-1)23-13-12-15(22-23)10-11-16-14-20-18-8-4-5-9-19(18)21-16;1-2-6-14(7-3-1)19-21-13-16(23-19)11-10-15-12-20-17-8-4-5-9-18(17)22-15/h1-10,13-14H,11-12H2;1-12,15H,13-14H2;1-9,12-14H,10-11H2;1-9,12-13H,10-11H2.
What are the key properties of 2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline has a molecular weight of 1249.50 g/mol, XLogP of 16.66, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-phenylpyrazol-3-yl)ethyl]quinoxaline;2-[2-(6-phenyl-2-pyridinyl)ethyl]quinoxaline;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline is sourced from PubChem (CID 161376340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).