6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one

C19H14BrN3O4 — CID 45492517

IUPAC6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C(=O)Cn3cnc4ccc(Br)cc4c3=O)cc21
InChIInChI=1S/C19H14BrN3O4/c1-22-15-6-11(2-5-17(15)27-9-18(22)25)16(24)8-23-10-21-14-4-3-12(20)7-13(14)19(23)26/h2-7,10H,8-9H2,1H3
InChIKeyOGFACVGLOPHSQX-UHFFFAOYSA-N
MW428.24 g/mol
LogP2.40
Rot. Bonds3

About 6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one

6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 45492517) has the molecular formula C19H14BrN3O4 and a molecular weight of 428.24 g/mol. Its IUPAC name is 6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one
PubChem CID45492517
Molecular FormulaC19H14BrN3O4
Molecular Weight428.24 g/mol
Exact Mass427.02
IUPAC Name6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C(=O)Cn3cnc4ccc(Br)cc4c3=O)cc21
InChIInChI=1S/C19H14BrN3O4/c1-22-15-6-11(2-5-17(15)27-9-18(22)25)16(24)8-23-10-21-14-4-3-12(20)7-13(14)19(23)26/h2-7,10H,8-9H2,1H3
InChIKeyOGFACVGLOPHSQX-UHFFFAOYSA-N
XLogP2.40
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

4-ethyl-6-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-1,4-benzoxazin-3-one
CID 23408289
6-bromo-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]quinazolin-4-one
CID 38834090
6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7488393
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanoic acid
CID 116917982
6-bromo-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]quinazolin-4-one
CID 56519020
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 16599567
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 7488169
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-pentan-3-ylpropanamide
CID 55571699
6-bromo-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 51196186

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one (CID 45492517) is 6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(C(=O)Cn3cnc4ccc(Br)cc4c3=O)cc21.
What is the InChIKey of 6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is OGFACVGLOPHSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O4/c1-22-15-6-11(2-5-17(15)27-9-18(22)25)16(24)8-23-10-21-14-4-3-12(20)7-13(14)19(23)26/h2-7,10H,8-9H2,1H3.
What are the key properties of 6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one?
6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 428.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 45492517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).