5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate

C128H85Cl6N29O6 — CID 159976193

About 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate

5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate (PubChem CID 159976193) has the molecular formula C128H85Cl6N29O6 and a molecular weight of 2338.00 g/mol. Its IUPAC name is 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate
• PubChem CID: 159976193
• Molecular Formula: C128H85Cl6N29O6
• Molecular Weight: 2338.00 g/mol
• Exact Mass: 2333.54
• IUPAC Name: 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate
• SMILES: COC(=O)c1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nn[nH]n5)c4)cc23)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-n5cnnn5)c4)cc23)c1.N#Cc1cncc(-c2ccc3nccc(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/C22H14ClN5O2.C22H16ClN3O2.2C21H14ClN7.C21H13ClN4.C21H14ClN3O2/c23-16-2-1-3-17(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)26-21-6-7-24-20-5-4-14(9-19(20)21)15-8-18(12-23-11-15)29-13-25-27-28-29;22-16-2-1-3-17(10-16)25-20-6-7-24-19-5-4-13(9-18(19)20)14-8-15(12-23-11-14)21-26-28-29-27-21;22-17-2-1-3-18(10-17)26-21-6-7-25-20-5-4-15(9-19(20)21)16-8-14(11-23)12-24-13-16;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/h1-12H,(H,25,26)(H,28,29);2-13H,1H3,(H,25,26);1-13H,(H,24,26);1-12H,(H,24,25)(H,26,27,28,29);1-10,12-13H,(H,25,26);1-12H,(H,24,25)(H,26,27)
• InChIKey: OFEOPZPDMZEYCU-UHFFFAOYSA-N
• XLogP: 31.02
• TPSA: 471.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2338.00
LogP ≤ 5	31.02
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?

The IUPAC name of 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate (CID 159976193) is 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate.

What is the SMILES notation for 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?

The canonical SMILES for 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccc3nccc(Nc4cccc(Cl)c4)c3c2)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nn[nH]n5)c4)cc23)c1.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-n5cnnn5)c4)cc23)c1.N#Cc1cncc(-c2ccc3nccc(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 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?

The InChIKey is OFEOPZPDMZEYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN5O2.C22H16ClN3O2.2C21H14ClN7.C21H13ClN4.C21H14ClN3O2/c23-16-2-1-3-17(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)26-21-6-7-24-20-5-4-14(9-19(20)21)15-8-18(12-23-11-15)29-13-25-27-28-29;22-16-2-1-3-17(10-16)25-20-6-7-24-19-5-4-13(9-18(19)20)14-8-15(12-23-11-14)21-26-28-29-27-21;22-17-2-1-3-18(10-17)26-21-6-7-25-20-5-4-15(9-19(20)21)16-8-14(11-23)12-24-13-16;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/h1-12H,(H,25,26)(H,28,29);2-13H,1H3,(H,25,26);1-13H,(H,24,26);1-12H,(H,24,25)(H,26,27,28,29);1-10,12-13H,(H,25,26);1-12H,(H,24,25)(H,26,27).

What are the key properties of 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate?

5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate has a molecular weight of 2338.00 g/mol, XLogP of 31.02, 23 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carbonitrile;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;N-(3-chlorophenyl)-6-[5-(tetrazol-1-yl)-3-pyridinyl]quinolin-4-amine;N-(3-chlorophenyl)-6-[5-(2H-tetrazol-5-yl)-3-pyridinyl]quinolin-4-amine;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate is sourced from PubChem (CID 159976193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).