6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate

C142H113Cl7FN29O10 — CID 160923760

About 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate

6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate (PubChem CID 160923760) has the molecular formula C142H113Cl7FN29O10 and a molecular weight of 2652.83 g/mol. Its IUPAC name is 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate
• PubChem CID: 160923760
• Molecular Formula: C142H113Cl7FN29O10
• Molecular Weight: 2652.83 g/mol
• Exact Mass: 2647.70
• IUPAC Name: 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate
• SMILES: COC(=O)c1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nnc(NCCN6CCOCC6)o5)c4)cc23)c1.Nc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)cnc1Cl.O=C(NCCN1CCCCC1)NCC(=O)c1cncc(-c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1.O=C(O)c1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.O=c1[nH]nc(-c2cncc(-c3ccc4nccc(Nc5cccc(Cl)c5)c4c3)c2)o1
• InChI: InChI=1S/C29H30ClN7O2.C28H26ClN7O2.C22H14ClN5O2.C22H16ClN3O2.C21H14ClN3O2.C20H13Cl2FN4/c30-23-5-4-6-24(15-23)36-28-25-14-20(7-8-26(25)34-19-35-28)21-13-22(17-31-16-21)27(38)18-33-29(39)32-9-12-37-10-2-1-3-11-37;29-22-2-1-3-23(16-22)33-26-6-7-31-25-5-4-19(15-24(25)26)20-14-21(18-30-17-20)27-34-35-28(38-27)32-8-9-36-10-12-37-13-11-36;23-16-2-1-3-17(10-16)26-20-6-7-25-19-5-4-13(9-18(19)20)14-8-15(12-24-11-14)21-27-28-22(29)30-21;1-28-22(27)16-9-15(12-24-13-16)14-5-6-20-19(10-14)21(7-8-25-20)26-18-4-2-3-17(23)11-18;22-16-2-1-3-17(10-16)25-20-6-7-24-19-5-4-13(9-18(19)20)14-8-15(21(26)27)12-23-11-14;21-15-9-13(2-3-16(15)23)27-19-5-6-25-18-4-1-11(7-14(18)19)12-8-17(24)20(22)26-10-12/h4-8,13-17,19H,1-3,9-12,18H2,(H2,32,33,39)(H,34,35,36);1-7,14-18H,8-13H2,(H,31,33)(H,32,35);1-12H,(H,25,26)(H,28,29);2-13H,1H3,(H,25,26);1-12H,(H,24,25)(H,26,27);1-10H,24H2,(H,25,27)
• InChIKey: SSJJOUXHXDEINP-UHFFFAOYSA-N
• XLogP: 32.52
• TPSA: 513.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2652.83
LogP ≤ 5	32.52
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?

The IUPAC name of 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate (CID 160923760) is 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate.

What is the SMILES notation for 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?

The canonical SMILES for 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nnc(NCCN6CCOCC6)o5)c4)cc23)c1.Nc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)cnc1Cl.O=C(NCCN1CCCCC1)NCC(=O)c1cncc(-c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1.O=C(O)c1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.O=c1[nH]nc(-c2cncc(-c3ccc4nccc(Nc5cccc(Cl)c5)c4c3)c2)o1.

What is the InChIKey of 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?

The InChIKey is SSJJOUXHXDEINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN7O2.C28H26ClN7O2.C22H14ClN5O2.C22H16ClN3O2.C21H14ClN3O2.C20H13Cl2FN4/c30-23-5-4-6-24(15-23)36-28-25-14-20(7-8-26(25)34-19-35-28)21-13-22(17-31-16-21)27(38)18-33-29(39)32-9-12-37-10-2-1-3-11-37;29-22-2-1-3-23(16-22)33-26-6-7-31-25-5-4-19(15-24(25)26)20-14-21(18-30-17-20)27-34-35-28(38-27)32-8-9-36-10-12-37-13-11-36;23-16-2-1-3-17(10-16)26-20-6-7-25-19-5-4-13(9-18(19)20)14-8-15(12-24-11-14)21-27-28-22(29)30-21;1-28-22(27)16-9-15(12-24-13-16)14-5-6-20-19(10-14)21(7-8-25-20)26-18-4-2-3-17(23)11-18;22-16-2-1-3-17(10-16)25-20-6-7-24-19-5-4-13(9-18(19)20)14-8-15(21(26)27)12-23-11-14;21-15-9-13(2-3-16(15)23)27-19-5-6-25-18-4-1-11(7-14(18)19)12-8-17(24)20(22)26-10-12/h4-8,13-17,19H,1-3,9-12,18H2,(H2,32,33,39)(H,34,35,36);1-7,14-18H,8-13H2,(H,31,33)(H,32,35);1-12H,(H,25,26)(H,28,29);2-13H,1H3,(H,25,26);1-12H,(H,24,25)(H,26,27);1-10H,24H2,(H,25,27).

What are the key properties of 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?

6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate has a molecular weight of 2652.83 g/mol, XLogP of 32.52, 32 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate is sourced from PubChem (CID 160923760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).