N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C16H12BrN3O2 — CID 988636

IUPACN-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O2/c17-11-5-7-12(8-6-11)19-15(21)9-20-10-18-14-4-2-1-3-13(14)16(20)22/h1-8,10H,9H2,(H,19,21)
InChIKeyWQZWVPRBJHAGRT-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.80
Rot. Bonds3

About N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 988636) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID988636
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC NameN-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O2/c17-11-5-7-12(8-6-11)19-15(21)9-20-10-18-14-4-2-1-3-13(14)16(20)22/h1-8,10H,9H2,(H,19,21)
InChIKeyWQZWVPRBJHAGRT-UHFFFAOYSA-N
XLogP2.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 26675731
N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938230
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 41489456
2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1259847
N-[4-(4-cyanophenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 48872680
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4785568
N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
CID 9464349

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 988636) is N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is WQZWVPRBJHAGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c17-11-5-7-12(8-6-11)19-15(21)9-20-10-18-14-4-2-1-3-13(14)16(20)22/h1-8,10H,9H2,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 358.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 988636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).