(E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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

C112H119N11O10S2 — CID 160681956

About (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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

(E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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 (PubChem CID 160681956) has the molecular formula C112H119N11O10S2 and a molecular weight of 1843.38 g/mol. Its IUPAC name is (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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.

Molecular Properties

• Compound Name: (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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
• PubChem CID: 160681956
• Molecular Formula: C112H119N11O10S2
• Molecular Weight: 1843.38 g/mol
• Exact Mass: 1841.86
• IUPAC Name: (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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
• SMILES: Cc1ccc(/C=C/C(=O)N2CCOc3ccccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCc3ccccc32)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.C19H19NO2.C19H19NO.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;1-14-7-8-16(13-15(14)2)9-10-19(21)20-11-12-22-18-6-4-3-5-17(18)20;1-14-7-8-16(13-15(14)2)9-10-19(21)20-12-11-17-5-3-4-6-18(17)20;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;3-10,13H,11-12H2,1-2H3;3-10,13H,11-12H2,1-2H3;3,6-10,12-13H,4-5,11H2,1-2H3;3,5,7-10,12-13H,4,6,11H2,1-2H3/b;;2*10-9+;2*12-9+
• InChIKey: ROGMLCYZBPBVNS-REYQMCFVSA-N
• XLogP: 21.04
• TPSA: 238.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.38
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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?

The IUPAC name of (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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 (CID 160681956) is (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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.

What is the SMILES notation for (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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?

The canonical SMILES for (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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 is Cc1ccc(/C=C/C(=O)N2CCOc3ccccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCc3ccccc32)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 (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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?

The InChIKey is ROGMLCYZBPBVNS-REYQMCFVSA-N. The full InChI is InChI=1S/C19H21N3O.C19H20N2O2.C19H19NO2.C19H19NO.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;1-14-7-8-16(13-15(14)2)9-10-19(21)20-11-12-22-18-6-4-3-5-17(18)20;1-14-7-8-16(13-15(14)2)9-10-19(21)20-12-11-17-5-3-4-6-18(17)20;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;3-10,13H,11-12H2,1-2H3;3-10,13H,11-12H2,1-2H3;3,6-10,12-13H,4-5,11H2,1-2H3;3,5,7-10,12-13H,4,6,11H2,1-2H3/b;;2*10-9+;2*12-9+.

What are the key properties of (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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?

(E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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 has a molecular weight of 1843.38 g/mol, XLogP of 21.04, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydroindol-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;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 is sourced from PubChem (CID 160681956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).