(E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)

C122H129Br5N28O12 — CID 157219199

About (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)

(E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene) (PubChem CID 157219199) has the molecular formula C122H129Br5N28O12 and a molecular weight of 2579.08 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene).

Molecular Properties

• Compound Name: (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)
• PubChem CID: 157219199
• Molecular Formula: C122H129Br5N28O12
• Molecular Weight: 2579.08 g/mol
• Exact Mass: 2572.63
• IUPAC Name: (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)
• SMILES: Brc1ccc(Br)nc1.C=C1CN(Cc2ccccc2)CC(=O)O1.C=C1OC(=O)Nc2ccccc21.C=CC.C=CC.NCCN.NCCNc1ccc(Br)cn1.Nc1ccccc1NC(=O)/C=C/c1ccc(NCCn2c(=O)[nH]c3ccccc3c2=O)nc1.Nc1ccccc1NC(=O)/C=C/c1ccc(NCCn2cnc3ccccc3c2=O)nc1.O=C1CN(Cc2ccccc2)CC(=O)N1CCNc1ccc(Br)cn1.O=c1c2ccccc2ncn1CCNc1ccc(Br)cn1
• InChI: InChI=1S/C24H22N6O3.C24H22N6O2.C18H19BrN4O2.C15H13BrN4O.C12H13NO2.C9H7NO2.C7H10BrN3.C5H3Br2N.2C3H6.C2H8N2/c25-18-6-2-4-8-20(18)28-22(31)12-10-16-9-11-21(27-15-16)26-13-14-30-23(32)17-5-1-3-7-19(17)29-24(30)33;25-19-6-2-4-8-21(19)29-23(31)12-10-17-9-11-22(27-15-17)26-13-14-30-16-28-20-7-3-1-5-18(20)24(30)32;19-15-6-7-16(21-10-15)20-8-9-23-17(24)12-22(13-18(23)25)11-14-4-2-1-3-5-14;16-11-5-6-14(18-9-11)17-7-8-20-10-19-13-4-2-1-3-12(13)15(20)21;1-10-7-13(9-12(14)15-10)8-11-5-3-2-4-6-11;1-6-7-4-2-3-5-8(7)10-9(11)12-6;8-6-1-2-7(11-5-6)10-4-3-9;6-4-1-2-5(7)8-3-4;2*1-3-2;3-1-2-4/h1-12,15H,13-14,25H2,(H,26,27)(H,28,31)(H,29,33);1-12,15-16H,13-14,25H2,(H,26,27)(H,29,31);1-7,10H,8-9,11-13H2,(H,20,21);1-6,9-10H,7-8H2,(H,17,18);2-6H,1,7-9H2;2-5H,1H2,(H,10,11);1-2,5H,3-4,9H2,(H,10,11);1-3H;2*3H,1H2,2H3;1-4H2/b2*12-10+
• InChIKey: ASTYTMWXHIQTRG-RFSBTTARSA-N
• XLogP: 19.25
• TPSA: 558.92 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2579.08
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)?

The IUPAC name of (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene) (CID 157219199) is (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene).

What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)?

The canonical SMILES for (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene) is Brc1ccc(Br)nc1.C=C1CN(Cc2ccccc2)CC(=O)O1.C=C1OC(=O)Nc2ccccc21.C=CC.C=CC.NCCN.NCCNc1ccc(Br)cn1.Nc1ccccc1NC(=O)/C=C/c1ccc(NCCn2c(=O)[nH]c3ccccc3c2=O)nc1.Nc1ccccc1NC(=O)/C=C/c1ccc(NCCn2cnc3ccccc3c2=O)nc1.O=C1CN(Cc2ccccc2)CC(=O)N1CCNc1ccc(Br)cn1.O=c1c2ccccc2ncn1CCNc1ccc(Br)cn1.

What is the InChIKey of (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)?

The InChIKey is ASTYTMWXHIQTRG-RFSBTTARSA-N. The full InChI is InChI=1S/C24H22N6O3.C24H22N6O2.C18H19BrN4O2.C15H13BrN4O.C12H13NO2.C9H7NO2.C7H10BrN3.C5H3Br2N.2C3H6.C2H8N2/c25-18-6-2-4-8-20(18)28-22(31)12-10-16-9-11-21(27-15-16)26-13-14-30-23(32)17-5-1-3-7-19(17)29-24(30)33;25-19-6-2-4-8-21(19)29-23(31)12-10-17-9-11-22(27-15-17)26-13-14-30-16-28-20-7-3-1-5-18(20)24(30)32;19-15-6-7-16(21-10-15)20-8-9-23-17(24)12-22(13-18(23)25)11-14-4-2-1-3-5-14;16-11-5-6-14(18-9-11)17-7-8-20-10-19-13-4-2-1-3-12(13)15(20)21;1-10-7-13(9-12(14)15-10)8-11-5-3-2-4-6-11;1-6-7-4-2-3-5-8(7)10-9(11)12-6;8-6-1-2-7(11-5-6)10-4-3-9;6-4-1-2-5(7)8-3-4;2*1-3-2;3-1-2-4/h1-12,15H,13-14,25H2,(H,26,27)(H,28,31)(H,29,33);1-12,15-16H,13-14,25H2,(H,26,27)(H,29,31);1-7,10H,8-9,11-13H2,(H,20,21);1-6,9-10H,7-8H2,(H,17,18);2-6H,1,7-9H2;2-5H,1H2,(H,10,11);1-2,5H,3-4,9H2,(H,10,11);1-3H;2*3H,1H2,2H3;1-4H2/b2*12-10+;;;;;;;;;.

What are the key properties of (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)?

(E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene) has a molecular weight of 2579.08 g/mol, XLogP of 19.25, 30 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(2-aminophenyl)-3-[6-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene) is sourced from PubChem (CID 157219199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).