(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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one

C132H130N12O13 — CID 158163249

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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one

(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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one (PubChem CID 158163249) has the molecular formula C132H130N12O13 and a molecular weight of 2092.56 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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one.

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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one
• PubChem CID: 158163249
• Molecular Formula: C132H130N12O13
• Molecular Weight: 2092.56 g/mol
• Exact Mass: 2090.99
• 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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one
• SMILES: Cc1ccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCOc3ccccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCc3ccccc32)cc1C.Cc1ccc(/C=C/C(=O)n2c(=O)n(C)c3ccccc32)cc1C.Cc1ccc(/C=C/C(=O)n2c(=O)oc3ccccc32)cc1C.Cc1ccc(C2CC2C(=O)N2CCNc3cccnc32)cc1C.Cc1ccc(C2CC2C(=O)N2CCOc3ncccc32)cc1C
• InChI: InChI=1S/C19H21N3O.C19H20N2O2.2C19H18N2O2.C19H19NO2.C19H19NO.C18H15NO3/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;1-13-8-9-15(12-14(13)2)10-11-18(22)21-17-7-5-4-6-16(17)20(3)19(21)23;1-13-7-8-15(11-14(13)2)9-10-19(23)21-12-18(22)20-16-5-3-4-6-17(16)21;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;1-12-7-8-14(11-13(12)2)9-10-17(20)19-15-5-3-4-6-16(15)22-18(19)21/h3-7,10,15-16,20H,8-9,11H2,1-2H3;3-7,10,15-16H,8-9,11H2,1-2H3;4-12H,1-3H3;3-11H,12H2,1-2H3,(H,20,22);3-10,13H,11-12H2,1-2H3;3-10,13H,11-12H2,1-2H3;3-11H,1-2H3/b;;11-10+;4*10-9+
• InChIKey: FWNMKLKGFNKNEL-UIYAWDDLSA-N
• XLogP: 24.31
• TPSA: 283.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.56
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one?

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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one (CID 158163249) 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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one.

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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one?

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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one is Cc1ccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCOc3ccccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCc3ccccc32)cc1C.Cc1ccc(/C=C/C(=O)n2c(=O)n(C)c3ccccc32)cc1C.Cc1ccc(/C=C/C(=O)n2c(=O)oc3ccccc32)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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one?

The InChIKey is FWNMKLKGFNKNEL-UIYAWDDLSA-N. The full InChI is InChI=1S/C19H21N3O.C19H20N2O2.2C19H18N2O2.C19H19NO2.C19H19NO.C18H15NO3/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;1-13-8-9-15(12-14(13)2)10-11-18(22)21-17-7-5-4-6-16(17)20(3)19(21)23;1-13-7-8-15(11-14(13)2)9-10-19(23)21-12-18(22)20-16-5-3-4-6-17(16)21;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;1-12-7-8-14(11-13(12)2)9-10-17(20)19-15-5-3-4-6-16(15)22-18(19)21/h3-7,10,15-16,20H,8-9,11H2,1-2H3;3-7,10,15-16H,8-9,11H2,1-2H3;4-12H,1-3H3;3-11H,12H2,1-2H3,(H,20,22);3-10,13H,11-12H2,1-2H3;3-10,13H,11-12H2,1-2H3;3-11H,1-2H3/b;;11-10+;4*10-9+.

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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one?

(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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one has a molecular weight of 2092.56 g/mol, XLogP of 24.31, 14 rotatable bonds, 2 hydrogen bond donors, and 19 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;3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one;4-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one;1-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 158163249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).