3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide

C16H15N3O2S — CID 26835386

IUPAC3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1cccs1
InChIInChI=1S/C16H15N3O2S/c20-15(17-10-12-4-3-9-22-12)7-8-19-11-18-14-6-2-1-5-13(14)16(19)21/h1-6,9,11H,7-8,10H2,(H,17,20)
InChIKeyJZZIEQKODDDXMC-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.16
Rot. Bonds5

About 3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide

3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 26835386) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID26835386
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1cccs1
InChIInChI=1S/C16H15N3O2S/c20-15(17-10-12-4-3-9-22-12)7-8-19-11-18-14-6-2-1-5-13(14)16(19)21/h1-6,9,11H,7-8,10H2,(H,17,20)
InChIKeyJZZIEQKODDDXMC-UHFFFAOYSA-N
XLogP2.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(4-oxoquinazolin-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 9287080
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 16675463
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122263906
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 26835386) is 3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCn1cnc2ccccc2c1=O)NCc1cccs1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is JZZIEQKODDDXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-15(17-10-12-4-3-9-22-12)7-8-19-11-18-14-6-2-1-5-13(14)16(19)21/h1-6,9,11H,7-8,10H2,(H,17,20).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 313.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 26835386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).