2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole

C112H112N12O10S2 — CID 161132560

About 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole

2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole (PubChem CID 161132560) has the molecular formula C112H112N12O10S2 and a molecular weight of 1850.34 g/mol. Its IUPAC name is 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole
• PubChem CID: 161132560
• Molecular Formula: C112H112N12O10S2
• Molecular Weight: 1850.34 g/mol
• Exact Mass: 1848.81
• IUPAC Name: 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole
• SMILES: C#CCOc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1C.C#CCOc1ccc(/C=C/c2nc3ccccc3o2)cc1C.Cc1ccc(/C=C/S(=O)(=O)N2CCCc3cccnc32)cc1C.Cc1ccc(/C=C/S(=O)(=O)N2CCCc3ncccc32)cc1C.Cc1ccc(C2CC2C(=O)N2CCNc3cccnc32)cc1C.Cc1ccc(C2CC2C(=O)N2CCOc3ncccc32)cc1C
• InChI: InChI=1S/C19H21N3O.C19H20N2O2.C19H16N2O.C19H15NO2.2C18H20N2O2S/c1-12-5-6-14(10-13(12)2)15-11-16(15)19(23)22-9-8-20-17-4-3-7-21-18(17)22;1-12-5-6-14(10-13(12)2)15-11-16(15)19(22)21-8-9-23-18-17(21)4-3-7-20-18;1-3-12-22-18-10-8-15(13-14(18)2)9-11-19-20-16-6-4-5-7-17(16)21-19;1-3-12-21-17-10-8-15(13-14(17)2)9-11-19-20-16-6-4-5-7-18(16)22-19;1-14-7-8-16(13-15(14)2)9-12-23(21,22)20-11-4-5-17-18(20)6-3-10-19-17;1-14-7-8-16(13-15(14)2)9-12-23(21,22)20-11-4-6-17-5-3-10-19-18(17)20/h3-7,10,15-16,20H,8-9,11H2,1-2H3;3-7,10,15-16H,8-9,11H2,1-2H3;1,4-11,13H,12H2,2H3,(H,20,21);1,4-11,13H,12H2,2H3;3,6-10,12-13H,4-5,11H2,1-2H3;3,5,7-10,12-13H,4,6,11H2,1-2H3/b;;2*11-9+;2*12-9+
• InChIKey: UMJONUMMHCWTPG-AMYSYYFYSA-N
• XLogP: 21.76
• TPSA: 261.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1850.34
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole?

The IUPAC name of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole (CID 161132560) is 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole.

What is the SMILES notation for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole?

The canonical SMILES for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole is C#CCOc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1C.C#CCOc1ccc(/C=C/c2nc3ccccc3o2)cc1C.Cc1ccc(/C=C/S(=O)(=O)N2CCCc3cccnc32)cc1C.Cc1ccc(/C=C/S(=O)(=O)N2CCCc3ncccc32)cc1C.Cc1ccc(C2CC2C(=O)N2CCNc3cccnc32)cc1C.Cc1ccc(C2CC2C(=O)N2CCOc3ncccc32)cc1C.

What is the InChIKey of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole?

The InChIKey is UMJONUMMHCWTPG-AMYSYYFYSA-N. The full InChI is InChI=1S/C19H21N3O.C19H20N2O2.C19H16N2O.C19H15NO2.2C18H20N2O2S/c1-12-5-6-14(10-13(12)2)15-11-16(15)19(23)22-9-8-20-17-4-3-7-21-18(17)22;1-12-5-6-14(10-13(12)2)15-11-16(15)19(22)21-8-9-23-18-17(21)4-3-7-20-18;1-3-12-22-18-10-8-15(13-14(18)2)9-11-19-20-16-6-4-5-7-17(16)21-19;1-3-12-21-17-10-8-15(13-14(17)2)9-11-19-20-16-6-4-5-7-18(16)22-19;1-14-7-8-16(13-15(14)2)9-12-23(21,22)20-11-4-5-17-18(20)6-3-10-19-17;1-14-7-8-16(13-15(14)2)9-12-23(21,22)20-11-4-6-17-5-3-10-19-18(17)20/h3-7,10,15-16,20H,8-9,11H2,1-2H3;3-7,10,15-16H,8-9,11H2,1-2H3;1,4-11,13H,12H2,2H3,(H,20,21);1,4-11,13H,12H2,2H3;3,6-10,12-13H,4-5,11H2,1-2H3;3,5,7-10,12-13H,4,6,11H2,1-2H3/b;;2*11-9+;2*12-9+.

What are the key properties of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole?

2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 1850.34 g/mol, XLogP of 21.76, 18 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl-[2-(3,4-dimethylphenyl)cyclopropyl]methanone;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine;1-[(E)-2-(3,4-dimethylphenyl)ethenyl]sulfonyl-3,4-dihydro-2H-1,8-naphthyridine;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 161132560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).