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

C21H25N5O2S — CID 30185170

IUPAC3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3nc(CN4CCCCC4)cs3)cnc12
InChIInChI=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)
InChIKeyANMFSZPIJJJGFW-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.18
Rot. Bonds6

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 Name3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID30185170
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3nc(CN4CCCCC4)cs3)cnc12
InChIInChI=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)
InChIKeyANMFSZPIJJJGFW-UHFFFAOYSA-N
XLogP3.18
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).