2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid

C10H6BrFN2O3 — CID 81297594

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C10H6BrFN2O3/c11-5-1-2-7-6(3-5)9(15)14(4-13-7)8(12)10(16)17/h1-4,8H,(H,16,17)
InChIKeyKKVWKWWDGCNNOP-UHFFFAOYSA-N
MW301.07 g/mol
LogP1.71
Rot. Bonds2

About 2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid

2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid (PubChem CID 81297594) has the molecular formula C10H6BrFN2O3 and a molecular weight of 301.07 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid
PubChem CID81297594
Molecular FormulaC10H6BrFN2O3
Molecular Weight301.07 g/mol
Exact Mass299.95
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C10H6BrFN2O3/c11-5-1-2-7-6(3-5)9(15)14(4-13-7)8(12)10(16)17/h1-4,8H,(H,16,17)
InChIKeyKKVWKWWDGCNNOP-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-bromo-4-oxoquinazolin-3-yl)methyl]butanoic acid
CID 155622567
2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-cyclopropylamino]propanoic acid
CID 122067087
6-bromo-3-[2-(4-fluorophenyl)-2-hydroxyethyl]quinazolin-4-one
CID 51338339
methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropanoate
CID 146973825
methyl 2-bromo-3-(6-bromo-4-oxoquinazolin-3-yl)propanoate
CID 113219612
3-(6-bromo-4-oxoquinazolin-3-yl)-4-methylbenzoic acid
CID 69229431
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
6-bromo-3-[2-(2-fluorophenyl)-2-oxoethyl]quinazolin-4-one
CID 7488169
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
methyl 3-(6-bromo-4-oxoquinazolin-3-yl)-2,2-difluoropropanoate
CID 148961008
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4-difluorophenyl)acetamide
CID 7488154
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid (CID 81297594) is 2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid is O=C(O)C(F)n1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid?
The InChIKey is KKVWKWWDGCNNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O3/c11-5-1-2-7-6(3-5)9(15)14(4-13-7)8(12)10(16)17/h1-4,8H,(H,16,17).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid?
2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid has a molecular weight of 301.07 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81297594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).