2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C15H12BrN3O2S — CID 7886622

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1cccs1
InChIInChI=1S/C15H12BrN3O2S/c16-10-3-4-13-12(6-10)15(21)19(9-18-13)8-14(20)17-7-11-2-1-5-22-11/h1-6,9H,7-8H2,(H,17,20)
InChIKeySYSNULXXPNAPPE-UHFFFAOYSA-N
MW378.25 g/mol
LogP2.54
Rot. Bonds4

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 7886622) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID7886622
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1cccs1
InChIInChI=1S/C15H12BrN3O2S/c16-10-3-4-13-12(6-10)15(21)19(9-18-13)8-14(20)17-7-11-2-1-5-22-11/h1-6,9H,7-8H2,(H,17,20)
InChIKeySYSNULXXPNAPPE-UHFFFAOYSA-N
XLogP2.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 55724372
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 40584529
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55892252
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119496250
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 55719002

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 7886622) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1cccs1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SYSNULXXPNAPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c16-10-3-4-13-12(6-10)15(21)19(9-18-13)8-14(20)17-7-11-2-1-5-22-11/h1-6,9H,7-8H2,(H,17,20).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 378.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 7886622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).