4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide

C17H13IN4O3 — CID 5020316

IUPAC4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cn2cnc3ccc(I)cc3c2=O)cc1
InChIInChI=1S/C17H13IN4O3/c18-11-3-6-14-13(7-11)17(25)22(9-20-14)8-15(23)21-12-4-1-10(2-5-12)16(19)24/h1-7,9H,8H2,(H2,19,24)(H,21,23)
InChIKeyJSKDBJLTQBAFMM-UHFFFAOYSA-N
MW448.22 g/mol
LogP1.74
Rot. Bonds4

About 4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide

4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide (PubChem CID 5020316) has the molecular formula C17H13IN4O3 and a molecular weight of 448.22 g/mol. Its IUPAC name is 4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
PubChem CID5020316
Molecular FormulaC17H13IN4O3
Molecular Weight448.22 g/mol
Exact Mass448.00
IUPAC Name4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cn2cnc3ccc(I)cc3c2=O)cc1
InChIInChI=1S/C17H13IN4O3/c18-11-3-6-14-13(7-11)17(25)22(9-20-14)8-15(23)21-12-4-1-10(2-5-12)16(19)24/h1-7,9H,8H2,(H2,19,24)(H,21,23)
InChIKeyJSKDBJLTQBAFMM-UHFFFAOYSA-N
XLogP1.74
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39377637
butyl 4-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 26675736
ethyl 4-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 4850916
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 26675731
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7587529

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide (CID 5020316) is 4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)Cn2cnc3ccc(I)cc3c2=O)cc1.
What is the InChIKey of 4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The InChIKey is JSKDBJLTQBAFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN4O3/c18-11-3-6-14-13(7-11)17(25)22(9-20-14)8-15(23)21-12-4-1-10(2-5-12)16(19)24/h1-7,9H,8H2,(H2,19,24)(H,21,23).
What are the key properties of 4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide has a molecular weight of 448.22 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 5020316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).