3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide

C17H16BrN3O2S — CID 24621684

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide
SMILESCC(NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1cccs1
InChIInChI=1S/C17H16BrN3O2S/c1-11(15-3-2-8-24-15)20-16(22)6-7-21-10-19-14-5-4-12(18)9-13(14)17(21)23/h2-5,8-11H,6-7H2,1H3,(H,20,22)
InChIKeyHIDNZJBYNMMZCU-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.49
Rot. Bonds5

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 24621684) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID24621684
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide
SMILESCC(NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1cccs1
InChIInChI=1S/C17H16BrN3O2S/c1-11(15-3-2-8-24-15)20-16(22)6-7-21-10-19-14-5-4-12(18)9-13(14)17(21)23/h2-5,8-11H,6-7H2,1H3,(H,20,22)
InChIKeyHIDNZJBYNMMZCU-UHFFFAOYSA-N
XLogP3.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide 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

N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 24684081
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylphenyl)propanamide
CID 31150939
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(1-phenylethylamino)phenyl]propanamide
CID 55987816
N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119616697
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 18148665
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40743912
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
CID 55517103
methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-methylpropanoate
CID 43074401

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide (CID 24621684) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide is CC(NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1cccs1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is HIDNZJBYNMMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-11(15-3-2-8-24-15)20-16(22)6-7-21-10-19-14-5-4-12(18)9-13(14)17(21)23/h2-5,8-11H,6-7H2,1H3,(H,20,22).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 406.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 24621684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).