6-hydroxyquinazoline-8-carboxylic acid

C9H6N2O3 — CID 140638657

IUPAC6-hydroxyquinazoline-8-carboxylic acid
SMILESO=C(O)c1cc(O)cc2cncnc12
InChIInChI=1S/C9H6N2O3/c12-6-1-5-3-10-4-11-8(5)7(2-6)9(13)14/h1-4,12H,(H,13,14)
InChIKeyIBHSSZPDUASQJE-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.03
Rot. Bonds1

About 6-hydroxyquinazoline-8-carboxylic acid

6-hydroxyquinazoline-8-carboxylic acid (PubChem CID 140638657) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 6-hydroxyquinazoline-8-carboxylic acid.

Molecular Properties

Compound Name6-hydroxyquinazoline-8-carboxylic acid
PubChem CID140638657
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name6-hydroxyquinazoline-8-carboxylic acid
SMILESO=C(O)c1cc(O)cc2cncnc12
InChIInChI=1S/C9H6N2O3/c12-6-1-5-3-10-4-11-8(5)7(2-6)9(13)14/h1-4,12H,(H,13,14)
InChIKeyIBHSSZPDUASQJE-UHFFFAOYSA-N
XLogP1.03
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxyquinazoline-8-carboxylic acid?
The IUPAC name of 6-hydroxyquinazoline-8-carboxylic acid (CID 140638657) is 6-hydroxyquinazoline-8-carboxylic acid.
What is the SMILES notation for 6-hydroxyquinazoline-8-carboxylic acid?
The canonical SMILES for 6-hydroxyquinazoline-8-carboxylic acid is O=C(O)c1cc(O)cc2cncnc12.
What is the InChIKey of 6-hydroxyquinazoline-8-carboxylic acid?
The InChIKey is IBHSSZPDUASQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-6-1-5-3-10-4-11-8(5)7(2-6)9(13)14/h1-4,12H,(H,13,14).
What are the key properties of 6-hydroxyquinazoline-8-carboxylic acid?
6-hydroxyquinazoline-8-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyquinazoline-8-carboxylic acid is sourced from PubChem (CID 140638657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).