2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide

C17H17N3O2S — CID 27770445

IUPAC2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCCc3cccs3)cnc12
InChIInChI=1S/C17H17N3O2S/c1-12-4-2-6-14-16(12)19-11-20(17(14)22)10-15(21)18-8-7-13-5-3-9-23-13/h2-6,9,11H,7-8,10H2,1H3,(H,18,21)
InChIKeyNJRBPCQORJMBCF-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.13
Rot. Bonds5

About 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide

2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 27770445) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID27770445
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCCc3cccs3)cnc12
InChIInChI=1S/C17H17N3O2S/c1-12-4-2-6-14-16(12)19-11-20(17(14)22)10-15(21)18-8-7-13-5-3-9-23-13/h2-6,9,11H,7-8,10H2,1H3,(H,18,21)
InChIKeyNJRBPCQORJMBCF-UHFFFAOYSA-N
XLogP2.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-3-pyridinyl)ethyl]acetamide
CID 136567983
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27016294
4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide
CID 55878694
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 51111026
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 20932054
2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60544932
2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770102
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 27873413
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide (CID 27770445) is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide is Cc1cccc2c(=O)n(CC(=O)NCCc3cccs3)cnc12.
What is the InChIKey of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is NJRBPCQORJMBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-4-2-6-14-16(12)19-11-20(17(14)22)10-15(21)18-8-7-13-5-3-9-23-13/h2-6,9,11H,7-8,10H2,1H3,(H,18,21).
What are the key properties of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 27770445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).