3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide

C22H16BrN5O3 — CID 60526152

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C22H16BrN5O3/c23-13-3-5-16-15(10-13)22(30)28(12-24-16)8-7-20(29)25-14-4-6-17-18(11-14)27-21(26-17)19-2-1-9-31-19/h1-6,9-12H,7-8H2,(H,25,29)(H,26,27)
InChIKeyWSBHCTAJFMHJON-UHFFFAOYSA-N
MW478.31 g/mol
LogP4.32
Rot. Bonds5

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide (PubChem CID 60526152) has the molecular formula C22H16BrN5O3 and a molecular weight of 478.31 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide
PubChem CID60526152
Molecular FormulaC22H16BrN5O3
Molecular Weight478.31 g/mol
Exact Mass477.04
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1
InChIInChI=1S/C22H16BrN5O3/c23-13-3-5-16-15(10-13)22(30)28(12-24-16)8-7-20(29)25-14-4-6-17-18(11-14)27-21(26-17)19-2-1-9-31-19/h1-6,9-12H,7-8H2,(H,25,29)(H,26,27)
InChIKeyWSBHCTAJFMHJON-UHFFFAOYSA-N
XLogP4.32
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.31
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]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

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
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-[4-(1-phenylethylamino)phenyl]propanamide
CID 55987816
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-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 24589483
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 30884886
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119843774
2-(2-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 155963168
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide (CID 60526152) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide is O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide?
The InChIKey is WSBHCTAJFMHJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN5O3/c23-13-3-5-16-15(10-13)22(30)28(12-24-16)8-7-20(29)25-14-4-6-17-18(11-14)27-21(26-17)19-2-1-9-31-19/h1-6,9-12H,7-8H2,(H,25,29)(H,26,27).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide has a molecular weight of 478.31 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide is sourced from PubChem (CID 60526152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).