4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid

C105H108BCl4F3N34O16 — CID 159048229

About 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid

4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid (PubChem CID 159048229) has the molecular formula C105H108BCl4F3N34O16 and a molecular weight of 2311.86 g/mol. Its IUPAC name is 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid.

Molecular Properties

• Compound Name: 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid
• PubChem CID: 159048229
• Molecular Formula: C105H108BCl4F3N34O16
• Molecular Weight: 2311.86 g/mol
• Exact Mass: 2308.75
• IUPAC Name: 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid
• SMILES: C=CC(=O)Cl.CCCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Cl)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.Clc1ncnc(Cl)n1.OB(O)c1cnc2ccccc2c1
• InChI: InChI=1S/C24H26N8O3.C24H28N8O.C19H13FN6O3.C10H7ClFN5O3.C9H8BNO2.C7H7FN2O3.C6H15N.C3HCl2N3.C3H3ClO/c1-30(2)9-10-31(3)20-13-22(35-4)19(12-21(20)32(33)34)28-24-27-15-26-23(29-24)17-11-16-7-5-6-8-18(16)25-14-17;1-31(2)9-10-32(3)21-13-22(33-4)20(12-18(21)25)29-24-28-15-27-23(30-24)17-11-16-7-5-6-8-19(16)26-14-17;1-29-17-7-13(20)16(26(27)28)8-15(17)24-19-23-10-22-18(25-19)12-6-11-4-2-3-5-14(11)21-9-12;1-20-8-2-5(12)7(17(18)19)3-6(8)15-10-14-4-13-9(11)16-10;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-4-5-6-7(2)3;4-2-6-1-7-3(5)8-2;1-2-3(4)5/h5-8,11-15H,9-10H2,1-4H3,(H,26,27,28,29);5-8,11-15H,9-10,25H2,1-4H3,(H,27,28,29,30);2-10H,1H3,(H,22,23,24,25);2-4H,1H3,(H,13,14,15,16);1-6,12-13H;2-3H,9H2,1H3;4-6H2,1-3H3;1H;2H,1H2
• InChIKey: JWXRUFQRMPKLEM-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 637.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2311.86
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid?

The IUPAC name of 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid (CID 159048229) is 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid.

What is the SMILES notation for 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid?

The canonical SMILES for 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid is C=CC(=O)Cl.CCCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(Cl)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.Clc1ncnc(Cl)n1.OB(O)c1cnc2ccccc2c1.

What is the InChIKey of 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid?

The InChIKey is JWXRUFQRMPKLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3.C24H28N8O.C19H13FN6O3.C10H7ClFN5O3.C9H8BNO2.C7H7FN2O3.C6H15N.C3HCl2N3.C3H3ClO/c1-30(2)9-10-31(3)20-13-22(35-4)19(12-21(20)32(33)34)28-24-27-15-26-23(29-24)17-11-16-7-5-6-8-18(16)25-14-17;1-31(2)9-10-32(3)21-13-22(33-4)20(12-18(21)25)29-24-28-15-27-23(30-24)17-11-16-7-5-6-8-19(16)26-14-17;1-29-17-7-13(20)16(26(27)28)8-15(17)24-19-23-10-22-18(25-19)12-6-11-4-2-3-5-14(11)21-9-12;1-20-8-2-5(12)7(17(18)19)3-6(8)15-10-14-4-13-9(11)16-10;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-4-5-6-7(2)3;4-2-6-1-7-3(5)8-2;1-2-3(4)5/h5-8,11-15H,9-10H2,1-4H3,(H,26,27,28,29);5-8,11-15H,9-10,25H2,1-4H3,(H,27,28,29,30);2-10H,1H3,(H,22,23,24,25);2-4H,1H3,(H,13,14,15,16);1-6,12-13H;2-3H,9H2,1H3;4-6H2,1-3H3;1H;2H,1H2.

What are the key properties of 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid?

4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid has a molecular weight of 2311.86 g/mol, XLogP of 18.08, 33 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,2,4-triamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride;quinolin-3-ylboronic acid is sourced from PubChem (CID 159048229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).