quinazoline-2,8-dicarboxylic acid

C10H6N2O4 — CID 54041183

IUPACquinazoline-2,8-dicarboxylic acid
SMILESO=C(O)c1ncc2cccc(C(=O)O)c2n1
InChIInChI=1S/C10H6N2O4/c13-9(14)6-3-1-2-5-4-11-8(10(15)16)12-7(5)6/h1-4H,(H,13,14)(H,15,16)
InChIKeyLMLQIUSHOFCZEF-UHFFFAOYSA-N
MW218.17 g/mol
LogP1.03
Rot. Bonds2

About quinazoline-2,8-dicarboxylic acid

quinazoline-2,8-dicarboxylic acid (PubChem CID 54041183) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is quinazoline-2,8-dicarboxylic acid.

Molecular Properties

Compound Namequinazoline-2,8-dicarboxylic acid
PubChem CID54041183
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Namequinazoline-2,8-dicarboxylic acid
SMILESO=C(O)c1ncc2cccc(C(=O)O)c2n1
InChIInChI=1S/C10H6N2O4/c13-9(14)6-3-1-2-5-4-11-8(10(15)16)12-7(5)6/h1-4H,(H,13,14)(H,15,16)
InChIKeyLMLQIUSHOFCZEF-UHFFFAOYSA-N
XLogP1.03
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

palladium;quinoline-8-carboxylic acid
CID 174945118
8-hydroxyquinazoline-2-carboxamide
CID 68565036
3-iodoquinoline-8-carboxylic acid
CID 130624702
quinoline-2,8-dicarboxylic acid
CID 19033995
3-chloroquinoxaline-5-carboxylic acid
CID 115026152
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
[1,2]thiazolo[5,4-b]quinoline-8-carboxylic acid
CID 11424722
naphthalene;phthalic acid
CID 158069637
5H-pyrimido[5,4-b]indole-2-carboxylic acid
CID 13321935
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
5-methylquinazoline-2-carboxylic acid
CID 150199538
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963

Frequently Asked Questions

What is the IUPAC name of quinazoline-2,8-dicarboxylic acid?
The IUPAC name of quinazoline-2,8-dicarboxylic acid (CID 54041183) is quinazoline-2,8-dicarboxylic acid.
What is the SMILES notation for quinazoline-2,8-dicarboxylic acid?
The canonical SMILES for quinazoline-2,8-dicarboxylic acid is O=C(O)c1ncc2cccc(C(=O)O)c2n1.
What is the InChIKey of quinazoline-2,8-dicarboxylic acid?
The InChIKey is LMLQIUSHOFCZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-9(14)6-3-1-2-5-4-11-8(10(15)16)12-7(5)6/h1-4H,(H,13,14)(H,15,16).
What are the key properties of quinazoline-2,8-dicarboxylic acid?
quinazoline-2,8-dicarboxylic acid has a molecular weight of 218.17 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline-2,8-dicarboxylic acid is sourced from PubChem (CID 54041183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).