4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone

C88H106N20O7S3 — CID 158158318

About 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone

4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone (PubChem CID 158158318) has the molecular formula C88H106N20O7S3 and a molecular weight of 1652.15 g/mol. Its IUPAC name is 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

• Compound Name: 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone
• PubChem CID: 158158318
• Molecular Formula: C88H106N20O7S3
• Molecular Weight: 1652.15 g/mol
• Exact Mass: 1650.77
• IUPAC Name: 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone
• SMILES: Cc1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.Cc1nc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)sc1C.O=C(CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1)c1cncs1.OC(c1ncco1)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1
• InChI: InChI=1S/C23H29N5OS.C22H25N5O2S.C22H27N5OS.C21H25N5O3/c1-16-17(2)30-22(26-16)12-18-4-3-7-28(14-18)23-20-6-5-19(13-21(20)24-15-25-23)27-8-10-29-11-9-27;28-20(21-12-23-15-30-21)10-16-2-1-5-27(13-16)22-18-4-3-17(11-19(18)24-14-25-22)26-6-8-29-9-7-26;1-16-13-23-21(29-16)11-17-3-2-6-27(14-17)22-19-5-4-18(12-20(19)24-15-25-22)26-7-9-28-10-8-26;27-19(21-22-5-9-29-21)15-2-1-6-26(13-15)20-17-4-3-16(12-18(17)23-14-24-20)25-7-10-28-11-8-25/h5-6,13,15,18H,3-4,7-12,14H2,1-2H3;3-4,11-12,14-16H,1-2,5-10,13H2;4-5,12-13,15,17H,2-3,6-11,14H2,1H3;3-5,9,12,14-15,19,27H,1-2,6-8,10-11,13H2
• InChIKey: FVYSIXKEFFIBNO-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 267.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1652.15
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone?

The IUPAC name of 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone (CID 158158318) is 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone.

What is the SMILES notation for 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone?

The canonical SMILES for 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone is Cc1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.Cc1nc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)sc1C.O=C(CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1)c1cncs1.OC(c1ncco1)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1.

What is the InChIKey of 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone?

The InChIKey is FVYSIXKEFFIBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS.C22H25N5O2S.C22H27N5OS.C21H25N5O3/c1-16-17(2)30-22(26-16)12-18-4-3-7-28(14-18)23-20-6-5-19(13-21(20)24-15-25-23)27-8-10-29-11-9-27;28-20(21-12-23-15-30-21)10-16-2-1-5-27(13-16)22-18-4-3-17(11-19(18)24-14-25-22)26-6-8-29-9-7-26;1-16-13-23-21(29-16)11-17-3-2-6-27(14-17)22-19-5-4-18(12-20(19)24-15-25-22)26-7-9-28-10-8-26;27-19(21-22-5-9-29-21)15-2-1-6-26(13-15)20-17-4-3-16(12-18(17)23-14-24-20)25-7-10-28-11-8-25/h5-6,13,15,18H,3-4,7-12,14H2,1-2H3;3-4,11-12,14-16H,1-2,5-10,13H2;4-5,12-13,15,17H,2-3,6-11,14H2,1H3;3-5,9,12,14-15,19,27H,1-2,6-8,10-11,13H2.

What are the key properties of 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone?

4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone has a molecular weight of 1652.15 g/mol, XLogP of 13.51, 17 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-oxazol-2-yl)methanol;2-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 158158318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).