2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide

C23H19BrN4O4 — CID 55399156

IUPAC2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H19BrN4O4/c1-27(20-7-3-2-6-17(20)22(30)25-12-16-5-4-10-32-16)21(29)13-28-14-26-19-9-8-15(24)11-18(19)23(28)31/h2-11,14H,12-13H2,1H3,(H,25,30)
InChIKeyZKBGFPSRZYVEQE-UHFFFAOYSA-N
MW495.33 g/mol
LogP3.35
Rot. Bonds6

About 2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide

2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55399156) has the molecular formula C23H19BrN4O4 and a molecular weight of 495.33 g/mol. Its IUPAC name is 2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID55399156
Molecular FormulaC23H19BrN4O4
Molecular Weight495.33 g/mol
Exact Mass494.06
IUPAC Name2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H19BrN4O4/c1-27(20-7-3-2-6-17(20)22(30)25-12-16-5-4-10-32-16)21(29)13-28-14-26-19-9-8-15(24)11-18(19)23(28)31/h2-11,14H,12-13H2,1H3,(H,25,30)
InChIKeyZKBGFPSRZYVEQE-UHFFFAOYSA-N
XLogP3.35
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 40584529
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227332
N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 47061690
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 18166628
2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 8555309
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 43045988
6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 7488169
N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
CID 78818353
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34090050
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 34795367

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide (CID 55399156) is 2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide is CN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ZKBGFPSRZYVEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O4/c1-27(20-7-3-2-6-17(20)22(30)25-12-16-5-4-10-32-16)21(29)13-28-14-26-19-9-8-15(24)11-18(19)23(28)31/h2-11,14H,12-13H2,1H3,(H,25,30).
What are the key properties of 2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 495.33 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55399156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).