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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione

C114H109N13O17S2 — CID 160868066

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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione

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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione (PubChem CID 160868066) has the molecular formula C114H109N13O17S2 and a molecular weight of 1997.33 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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione.

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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione
• PubChem CID: 160868066
• Molecular Formula: C114H109N13O17S2
• Molecular Weight: 1997.33 g/mol
• Exact Mass: 1995.75
• 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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione
• SMILES: C#CCOc1ccc(/C=C/C(=O)n2c(=O)oc(=O)c3cccnc32)cc1C.C#CCOc1ccc(/C=C/C(=O)n2c(=O)oc(=O)c3ncccc32)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/2C20H14N2O5.C19H21N3O.C19H20N2O2.2C18H20N2O2S/c1-3-11-26-16-8-6-14(12-13(16)2)7-9-17(23)22-15-5-4-10-21-18(15)19(24)27-20(22)25;1-3-11-26-16-8-6-14(12-13(16)2)7-9-17(23)22-18-15(5-4-10-21-18)19(24)27-20(22)25;1-12-5-6-14(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;1-14-7-8-16(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/h2*1,4-10,12H,11H2,2H3;3-7,10,15-16,20H,8-9,11H2,1-2H3;3-7,10,15-16H,8-9,11H2,1-2H3;3,6-10,12-13H,4-5,11H2,1-2H3;3,5,7-10,12-13H,4,6,11H2,1-2H3/b2*9-7+;;;2*12-9+
• InChIKey: SLJWKXOXILYHRQ-OSRLNPRJSA-N
• XLogP: 17.44
• TPSA: 371.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1997.33
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione?

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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione (CID 160868066) 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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione.

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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione?

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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione is C#CCOc1ccc(/C=C/C(=O)n2c(=O)oc(=O)c3cccnc32)cc1C.C#CCOc1ccc(/C=C/C(=O)n2c(=O)oc(=O)c3ncccc32)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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione?

The InChIKey is SLJWKXOXILYHRQ-OSRLNPRJSA-N. The full InChI is InChI=1S/2C20H14N2O5.C19H21N3O.C19H20N2O2.2C18H20N2O2S/c1-3-11-26-16-8-6-14(12-13(16)2)7-9-17(23)22-15-5-4-10-21-18(15)19(24)27-20(22)25;1-3-11-26-16-8-6-14(12-13(16)2)7-9-17(23)22-18-15(5-4-10-21-18)19(24)27-20(22)25;1-12-5-6-14(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;1-14-7-8-16(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/h2*1,4-10,12H,11H2,2H3;3-7,10,15-16,20H,8-9,11H2,1-2H3;3-7,10,15-16H,8-9,11H2,1-2H3;3,6-10,12-13H,4-5,11H2,1-2H3;3,5,7-10,12-13H,4,6,11H2,1-2H3/b2*9-7+;;;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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione?

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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione has a molecular weight of 1997.33 g/mol, XLogP of 17.44, 18 rotatable bonds, 1 hydrogen bond donors, and 26 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;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[2,3-d][1,3]oxazine-2,4-dione;1-[(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)prop-2-enoyl]pyrido[3,2-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 160868066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).