3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide

C17H13BrIN3O2 — CID 30286634

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(I)cc1
InChIInChI=1S/C17H13BrIN3O2/c18-11-1-6-15-14(9-11)17(24)22(10-20-15)8-7-16(23)21-13-4-2-12(19)3-5-13/h1-6,9-10H,7-8H2,(H,21,23)
InChIKeyGAGHXBYZTASGNA-UHFFFAOYSA-N
MW498.12 g/mol
LogP3.79
Rot. Bonds4

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide (PubChem CID 30286634) has the molecular formula C17H13BrIN3O2 and a molecular weight of 498.12 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
PubChem CID30286634
Molecular FormulaC17H13BrIN3O2
Molecular Weight498.12 g/mol
Exact Mass496.92
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(I)cc1
InChIInChI=1S/C17H13BrIN3O2/c18-11-1-6-15-14(9-11)17(24)22(10-20-15)8-7-16(23)21-13-4-2-12(19)3-5-13/h1-6,9-10H,7-8H2,(H,21,23)
InChIKeyGAGHXBYZTASGNA-UHFFFAOYSA-N
XLogP3.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenylphenyl)propanamide
CID 46580979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 24589483
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(1-phenylethylamino)phenyl]propanamide
CID 55987816
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 31158415
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 30288435
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
CID 35828025
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 60526152
N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide (CID 30286634) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide is O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(I)cc1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide?
The InChIKey is GAGHXBYZTASGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrIN3O2/c18-11-1-6-15-14(9-11)17(24)22(10-20-15)8-7-16(23)21-13-4-2-12(19)3-5-13/h1-6,9-10H,7-8H2,(H,21,23).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide has a molecular weight of 498.12 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide is sourced from PubChem (CID 30286634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).