2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide

C13H12BrN3O2 — CID 7886546

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NC1CC1
InChIInChI=1S/C13H12BrN3O2/c14-8-1-4-11-10(5-8)13(19)17(7-15-11)6-12(18)16-9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,16,18)
InChIKeyAJJMEXITGUHCGC-UHFFFAOYSA-N
MW322.16 g/mol
LogP1.44
Rot. Bonds3

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

2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide (PubChem CID 7886546) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
PubChem CID7886546
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NC1CC1
InChIInChI=1S/C13H12BrN3O2/c14-8-1-4-11-10(5-8)13(19)17(7-15-11)6-12(18)16-9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,16,18)
InChIKeyAJJMEXITGUHCGC-UHFFFAOYSA-N
XLogP1.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
CID 78961186
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 55706621
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120597912
N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 119610209
4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55718407
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119561032
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 51196190
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide (CID 7886546) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)NC1CC1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide?
The InChIKey is AJJMEXITGUHCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c14-8-1-4-11-10(5-8)13(19)17(7-15-11)6-12(18)16-9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,16,18).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide has a molecular weight of 322.16 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 7886546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).