2-quinolin-4-yl-1H-imidazole-5-carboxylic acid

C13H9N3O2 — CID 63867192

IUPAC2-quinolin-4-yl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccnc3ccccc23)[nH]1
InChIInChI=1S/C13H9N3O2/c17-13(18)11-7-15-12(16-11)9-5-6-14-10-4-2-1-3-8(9)10/h1-7H,(H,15,16)(H,17,18)
InChIKeyCCLMAITUTIOGDQ-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.32
Rot. Bonds2

About 2-quinolin-4-yl-1H-imidazole-5-carboxylic acid

2-quinolin-4-yl-1H-imidazole-5-carboxylic acid (PubChem CID 63867192) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-quinolin-4-yl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-quinolin-4-yl-1H-imidazole-5-carboxylic acid
PubChem CID63867192
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-quinolin-4-yl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccnc3ccccc23)[nH]1
InChIInChI=1S/C13H9N3O2/c17-13(18)11-7-15-12(16-11)9-5-6-14-10-4-2-1-3-8(9)10/h1-7H,(H,15,16)(H,17,18)
InChIKeyCCLMAITUTIOGDQ-UHFFFAOYSA-N
XLogP2.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-yl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-quinolin-4-yl-1H-imidazole-5-carboxylic acid (CID 63867192) is 2-quinolin-4-yl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-quinolin-4-yl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-quinolin-4-yl-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccnc3ccccc23)[nH]1.
What is the InChIKey of 2-quinolin-4-yl-1H-imidazole-5-carboxylic acid?
The InChIKey is CCLMAITUTIOGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)11-7-15-12(16-11)9-5-6-14-10-4-2-1-3-8(9)10/h1-7H,(H,15,16)(H,17,18).
What are the key properties of 2-quinolin-4-yl-1H-imidazole-5-carboxylic acid?
2-quinolin-4-yl-1H-imidazole-5-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-yl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 63867192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).