2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide

C16H13BrN4O4 — CID 40584529

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NC(=O)NCc1ccco1
InChIInChI=1S/C16H13BrN4O4/c17-10-3-4-13-12(6-10)15(23)21(9-19-13)8-14(22)20-16(24)18-7-11-2-1-5-25-11/h1-6,9H,7-8H2,(H2,18,20,22,24)
InChIKeyIYHYQDPFWYPYCS-UHFFFAOYSA-N
MW405.21 g/mol
LogP1.78
Rot. Bonds4

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 40584529) has the molecular formula C16H13BrN4O4 and a molecular weight of 405.21 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID40584529
Molecular FormulaC16H13BrN4O4
Molecular Weight405.21 g/mol
Exact Mass404.01
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NC(=O)NCc1ccco1
InChIInChI=1S/C16H13BrN4O4/c17-10-3-4-13-12(6-10)15(23)21(9-19-13)8-14(22)20-16(24)18-7-11-2-1-5-25-11/h1-6,9H,7-8H2,(H2,18,20,22,24)
InChIKeyIYHYQDPFWYPYCS-UHFFFAOYSA-N
XLogP1.78
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 55399156
N-(furan-2-ylmethyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227332
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 27248647
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 26675731
3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 55724372
2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2632700

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 40584529) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)NC(=O)NCc1ccco1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is IYHYQDPFWYPYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O4/c17-10-3-4-13-12(6-10)15(23)21(9-19-13)8-14(22)20-16(24)18-7-11-2-1-5-25-11/h1-6,9H,7-8H2,(H2,18,20,22,24).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 405.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 40584529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).