2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide

C15H16BrN3O2 — CID 78961186

IUPAC2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
SMILESO=C(Cn1cnc2cc(Br)ccc2c1=O)NC1CCCC1
InChIInChI=1S/C15H16BrN3O2/c16-10-5-6-12-13(7-10)17-9-19(15(12)21)8-14(20)18-11-3-1-2-4-11/h5-7,9,11H,1-4,8H2,(H,18,20)
InChIKeyPEEDUSOSIYRUEZ-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.22
Rot. Bonds3

About 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide

2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide (PubChem CID 78961186) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
PubChem CID78961186
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
SMILESO=C(Cn1cnc2cc(Br)ccc2c1=O)NC1CCCC1
InChIInChI=1S/C15H16BrN3O2/c16-10-5-6-12-13(7-10)17-9-19(15(12)21)8-14(20)18-11-3-1-2-4-11/h5-7,9,11H,1-4,8H2,(H,18,20)
InChIKeyPEEDUSOSIYRUEZ-UHFFFAOYSA-N
XLogP2.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 5131642
N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 119610209
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 55706621
2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 78961298
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide
CID 78961116
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120597912
4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55718407
N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4636840
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide (CID 78961186) is 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide is O=C(Cn1cnc2cc(Br)ccc2c1=O)NC1CCCC1.
What is the InChIKey of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide?
The InChIKey is PEEDUSOSIYRUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-10-5-6-12-13(7-10)17-9-19(15(12)21)8-14(20)18-11-3-1-2-4-11/h5-7,9,11H,1-4,8H2,(H,18,20).
What are the key properties of 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide?
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide has a molecular weight of 350.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide is sourced from PubChem (CID 78961186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).