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

C10H7BrN2O3 — CID 1187508

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C10H7BrN2O3/c11-6-1-2-8-7(3-6)10(16)13(5-12-8)4-9(14)15/h1-3,5H,4H2,(H,14,15)
InChIKeySYPRKLOBQRRYFI-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.24
Rot. Bonds2

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

2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid (PubChem CID 1187508) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid
PubChem CID1187508
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C10H7BrN2O3/c11-6-1-2-8-7(3-6)10(16)13(5-12-8)4-9(14)15/h1-3,5H,4H2,(H,14,15)
InChIKeySYPRKLOBQRRYFI-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid (CID 1187508) is 2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid is O=C(O)Cn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid?
The InChIKey is SYPRKLOBQRRYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c11-6-1-2-8-7(3-6)10(16)13(5-12-8)4-9(14)15/h1-3,5H,4H2,(H,14,15).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid?
2-(6-bromo-4-oxoquinazolin-3-yl)acetic acid has a molecular weight of 283.08 g/mol, XLogP of 1.24, 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)acetic acid is sourced from PubChem (CID 1187508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).