7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one

C14H13BrN4O2 — CID 78961293

IUPAC7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCC(C)c1noc(Cn2cnc3cc(Br)ccc3c2=O)n1
InChIInChI=1S/C14H13BrN4O2/c1-8(2)13-17-12(21-18-13)6-19-7-16-11-5-9(15)3-4-10(11)14(19)20/h3-5,7-8H,6H2,1-2H3
InChIKeyAHPWHHPYYQFLEC-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.71
Rot. Bonds3

About 7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one

7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (PubChem CID 78961293) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
PubChem CID78961293
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCC(C)c1noc(Cn2cnc3cc(Br)ccc3c2=O)n1
InChIInChI=1S/C14H13BrN4O2/c1-8(2)13-17-12(21-18-13)6-19-7-16-11-5-9(15)3-4-10(11)14(19)20/h3-5,7-8H,6H2,1-2H3
InChIKeyAHPWHHPYYQFLEC-UHFFFAOYSA-N
XLogP2.71
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 78961579
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 78961073
5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 115616737
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505
7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one
CID 106455785
6-bromo-3-ethyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 24649611
7-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 75470429
7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one
CID 81435822
7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one
CID 115299855
7-bromo-3-[(1-ethylpyrazol-4-yl)methyl]quinazolin-4-one
CID 115299850
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 115637804

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (CID 78961293) is 7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is CC(C)c1noc(Cn2cnc3cc(Br)ccc3c2=O)n1.
What is the InChIKey of 7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is AHPWHHPYYQFLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c1-8(2)13-17-12(21-18-13)6-19-7-16-11-5-9(15)3-4-10(11)14(19)20/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 349.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 78961293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).