6-cyanoquinazoline-2-carboxylic acid

C10H5N3O2 — CID 144887099

IUPAC6-cyanoquinazoline-2-carboxylic acid
SMILESN#Cc1ccc2nc(C(=O)O)ncc2c1
InChIInChI=1S/C10H5N3O2/c11-4-6-1-2-8-7(3-6)5-12-9(13-8)10(14)15/h1-3,5H,(H,14,15)
InChIKeyKWBKMWBJAMGUHT-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.20
Rot. Bonds1

About 6-cyanoquinazoline-2-carboxylic acid

6-cyanoquinazoline-2-carboxylic acid (PubChem CID 144887099) has the molecular formula C10H5N3O2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 6-cyanoquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name6-cyanoquinazoline-2-carboxylic acid
PubChem CID144887099
Molecular FormulaC10H5N3O2
Molecular Weight199.17 g/mol
Exact Mass199.04
IUPAC Name6-cyanoquinazoline-2-carboxylic acid
SMILESN#Cc1ccc2nc(C(=O)O)ncc2c1
InChIInChI=1S/C10H5N3O2/c11-4-6-1-2-8-7(3-6)5-12-9(13-8)10(14)15/h1-3,5H,(H,14,15)
InChIKeyKWBKMWBJAMGUHT-UHFFFAOYSA-N
XLogP1.20
TPSA86.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-propan-2-ylquinazoline-2-carboxylic acid
CID 178019149
2-cyclopropylquinazoline-6-carbonitrile
CID 23082042
2-(4-bromophenyl)quinazoline-6-carbonitrile
CID 101015506
2-(4-ethylphenyl)quinazoline-6-carbonitrile
CID 10945150
5-cyano-2-formylbenzoic acid
CID 130827836
1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid
CID 175302065
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
6-cyanonaphthalene-1-carboxylic acid
CID 22622245
3-chloroisoquinoline-7-carbonitrile
CID 84819605
3-cyanobenzoic acid;silver
CID 88821173
2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
CID 22002129
N-(3-cyanoquinolin-6-yl)acetamide
CID 139970068

Frequently Asked Questions

What is the IUPAC name of 6-cyanoquinazoline-2-carboxylic acid?
The IUPAC name of 6-cyanoquinazoline-2-carboxylic acid (CID 144887099) is 6-cyanoquinazoline-2-carboxylic acid.
What is the SMILES notation for 6-cyanoquinazoline-2-carboxylic acid?
The canonical SMILES for 6-cyanoquinazoline-2-carboxylic acid is N#Cc1ccc2nc(C(=O)O)ncc2c1.
What is the InChIKey of 6-cyanoquinazoline-2-carboxylic acid?
The InChIKey is KWBKMWBJAMGUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O2/c11-4-6-1-2-8-7(3-6)5-12-9(13-8)10(14)15/h1-3,5H,(H,14,15).
What are the key properties of 6-cyanoquinazoline-2-carboxylic acid?
6-cyanoquinazoline-2-carboxylic acid has a molecular weight of 199.17 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyanoquinazoline-2-carboxylic acid is sourced from PubChem (CID 144887099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).