quinazoline-2,5,7-tricarboxylic acid

C11H6N2O6 — CID 139964579

IUPACquinazoline-2,5,7-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2cnc(C(=O)O)nc2c1
InChIInChI=1S/C11H6N2O6/c14-9(15)4-1-5(10(16)17)6-3-12-8(11(18)19)13-7(6)2-4/h1-3H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyDJBIIRKULPQDIZ-UHFFFAOYSA-N
MW262.18 g/mol
LogP0.72
Rot. Bonds3

About quinazoline-2,5,7-tricarboxylic acid

quinazoline-2,5,7-tricarboxylic acid (PubChem CID 139964579) has the molecular formula C11H6N2O6 and a molecular weight of 262.18 g/mol. Its IUPAC name is quinazoline-2,5,7-tricarboxylic acid.

Molecular Properties

Compound Namequinazoline-2,5,7-tricarboxylic acid
PubChem CID139964579
Molecular FormulaC11H6N2O6
Molecular Weight262.18 g/mol
Exact Mass262.02
IUPAC Namequinazoline-2,5,7-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2cnc(C(=O)O)nc2c1
InChIInChI=1S/C11H6N2O6/c14-9(15)4-1-5(10(16)17)6-3-12-8(11(18)19)13-7(6)2-4/h1-3H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyDJBIIRKULPQDIZ-UHFFFAOYSA-N
XLogP0.72
TPSA137.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methylquinazoline-2-carboxylic acid
CID 150199538
quinazoline-2,8-dicarboxylic acid
CID 54041183
anthracene-1,3,6,7-tetracarboxylic acid
CID 18972239
6-propan-2-ylquinazoline-2-carboxylic acid
CID 178019149
6-cyanoquinazoline-2-carboxylic acid
CID 144887099
2-butoxybenzene-1,3,5-tricarboxylic acid
CID 71032660
furo[3,2-d]pyrimidine-2-carboxylic acid
CID 82415017
2-chlorobenzene-1,3,5-tricarboxylic acid
CID 70547954
2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
CID 175154002
3,5-dicarboxybenzene-1,2-diolate
CID 54746222
2-(trifluoromethyl)quinazoline-5-carboxylic acid
CID 140504349
quinoline-3,5,7,8-tetracarboxylic acid
CID 22158765

Frequently Asked Questions

What is the IUPAC name of quinazoline-2,5,7-tricarboxylic acid?
The IUPAC name of quinazoline-2,5,7-tricarboxylic acid (CID 139964579) is quinazoline-2,5,7-tricarboxylic acid.
What is the SMILES notation for quinazoline-2,5,7-tricarboxylic acid?
The canonical SMILES for quinazoline-2,5,7-tricarboxylic acid is O=C(O)c1cc(C(=O)O)c2cnc(C(=O)O)nc2c1.
What is the InChIKey of quinazoline-2,5,7-tricarboxylic acid?
The InChIKey is DJBIIRKULPQDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O6/c14-9(15)4-1-5(10(16)17)6-3-12-8(11(18)19)13-7(6)2-4/h1-3H,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of quinazoline-2,5,7-tricarboxylic acid?
quinazoline-2,5,7-tricarboxylic acid has a molecular weight of 262.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline-2,5,7-tricarboxylic acid is sourced from PubChem (CID 139964579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).