3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

C21H25N5O2S — CID 30185170

About 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 30185170) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 30185170
• Molecular Formula: C21H25N5O2S
• Molecular Weight: 411.53 g/mol
• Exact Mass: 411.17
• IUPAC Name: 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
• SMILES: Cc1cccc2c(=O)n(CCC(=O)Nc3nc(CN4CCCCC4)cs3)cnc12
• InChI: InChI=1S/C21H25N5O2S/c1-15-6-5-7-17-19(15)22-14-26(20(17)28)11-8-18(27)24-21-23-16(13-29-21)12-25-9-3-2-4-10-25/h5-7,13-14H,2-4,8-12H2,1H3,(H,23,24,27)
• InChIKey: ANMFSZPIJJJGFW-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.53
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 30185170) is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is Cc1cccc2c(=O)n(CCC(=O)Nc3nc(CN4CCCCC4)cs3)cnc12.

What is the InChIKey of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is ANMFSZPIJJJGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-15-6-5-7-17-19(15)22-14-26(20(17)28)11-8-18(27)24-21-23-16(13-29-21)12-25-9-3-2-4-10-25/h5-7,13-14H,2-4,8-12H2,1H3,(H,23,24,27).

What are the key properties of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 411.53 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 30185170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).