N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide

C24H20BrN3O2 — CID 30288435

IUPACN-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H20BrN3O2/c25-19-10-11-22-20(15-19)24(30)28(16-26-22)13-12-23(29)27-21-9-5-4-8-18(21)14-17-6-2-1-3-7-17/h1-11,15-16H,12-14H2,(H,27,29)
InChIKeySTMINUPQELPUKY-UHFFFAOYSA-N
MW462.35 g/mol
LogP4.78
Rot. Bonds6

About N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide

N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide (PubChem CID 30288435) has the molecular formula C24H20BrN3O2 and a molecular weight of 462.35 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
PubChem CID30288435
Molecular FormulaC24H20BrN3O2
Molecular Weight462.35 g/mol
Exact Mass461.07
IUPAC NameN-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H20BrN3O2/c25-19-10-11-22-20(15-19)24(30)28(16-26-22)13-12-23(29)27-21-9-5-4-8-18(21)14-17-6-2-1-3-7-17/h1-11,15-16H,12-14H2,(H,27,29)
InChIKeySTMINUPQELPUKY-UHFFFAOYSA-N
XLogP4.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 30763561
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide
CID 55675001
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 55908017
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 30884886
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylphenyl)propanamide
CID 31150939
N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7488437
2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
CID 55760929
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
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide (CID 30288435) is N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is STMINUPQELPUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O2/c25-19-10-11-22-20(15-19)24(30)28(16-26-22)13-12-23(29)27-21-9-5-4-8-18(21)14-17-6-2-1-3-7-17/h1-11,15-16H,12-14H2,(H,27,29).
What are the key properties of N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 462.35 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 30288435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).