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

C17H14BrN3O2 — CID 7886509

IUPACN-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1ccccc1
InChIInChI=1S/C17H14BrN3O2/c18-13-6-7-15-14(8-13)17(23)21(11-20-15)10-16(22)19-9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,19,22)
InChIKeyREZHHFVBISBJOH-UHFFFAOYSA-N
MW372.22 g/mol
LogP2.48
Rot. Bonds4

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

N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide (PubChem CID 7886509) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
PubChem CID7886509
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1ccccc1
InChIInChI=1S/C17H14BrN3O2/c18-13-6-7-15-14(8-13)17(23)21(11-20-15)10-16(22)19-9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,19,22)
InChIKeyREZHHFVBISBJOH-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 55724372
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide
CID 86946539
N-(2-benzylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 30763561
N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide
CID 55797996
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55718262
N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119496250
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 26675731
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
CID 55760929

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide (CID 7886509) is N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is REZHHFVBISBJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c18-13-6-7-15-14(8-13)17(23)21(11-20-15)10-16(22)19-9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,19,22).
What are the key properties of N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide?
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 372.22 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7886509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).