2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C16H14BrN5O3 — CID 55892252

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C16H14BrN5O3/c17-10-3-4-12-11(5-10)16(24)22(8-19-12)7-13(23)18-6-14-20-15(21-25-14)9-1-2-9/h3-5,8-9H,1-2,6-7H2,(H,18,23)
InChIKeyPZRQYLNFFXHEHH-UHFFFAOYSA-N
MW404.22 g/mol
LogP1.74
Rot. Bonds5

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 55892252) has the molecular formula C16H14BrN5O3 and a molecular weight of 404.22 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID55892252
Molecular FormulaC16H14BrN5O3
Molecular Weight404.22 g/mol
Exact Mass403.03
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C16H14BrN5O3/c17-10-3-4-12-11(5-10)16(24)22(8-19-12)7-13(23)18-6-14-20-15(21-25-14)9-1-2-9/h3-5,8-9H,1-2,6-7H2,(H,18,23)
InChIKeyPZRQYLNFFXHEHH-UHFFFAOYSA-N
XLogP1.74
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide with MolForge

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55892124
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 16599567
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119496250
N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 119610209
3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 55724372
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24570662

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 55892252) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1nc(C2CC2)no1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is PZRQYLNFFXHEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O3/c17-10-3-4-12-11(5-10)16(24)22(8-19-12)7-13(23)18-6-14-20-15(21-25-14)9-1-2-9/h3-5,8-9H,1-2,6-7H2,(H,18,23).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 404.22 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 55892252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).