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

C100H84Cl4N22O8 — CID 165049489

About 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

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 (PubChem CID 165049489) has the molecular formula C100H84Cl4N22O8 and a molecular weight of 1863.73 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 165049489
• Molecular Formula: C100H84Cl4N22O8
• Molecular Weight: 1863.73 g/mol
• Exact Mass: 1860.56
• IUPAC Name: 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
• SMILES: Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nnc(NCCN6CCOCC6)o5)c4)cc23)c1.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.C21H14ClN3O2/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;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/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);1-12H,(H,24,25)(H,26,27)
• InChIKey: PKYMKQPTCUAAAY-UHFFFAOYSA-N
• XLogP: 20.97
• TPSA: 385.18 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1863.73
LogP ≤ 5	20.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 165049489) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nnc(NCCN6CCOCC6)o5)c4)cc23)c1.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 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?

The InChIKey is PKYMKQPTCUAAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN7O2.C28H26ClN7O2.C22H14ClN5O2.C21H14ClN3O2/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;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/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);1-12H,(H,24,25)(H,26,27).

What are the key properties of 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?

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 has a molecular weight of 1863.73 g/mol, XLogP of 20.97, 25 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 165049489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).