2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid

C13H8ClN3O2 — CID 112618431

IUPAC2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)c3cccnc23)[nH]1
InChIInChI=1S/C13H8ClN3O2/c14-9-4-3-8(11-7(9)2-1-5-15-11)12-16-6-10(17-12)13(18)19/h1-6H,(H,16,17)(H,18,19)
InChIKeyCAYMLVQMLZFKCM-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.98
Rot. Bonds2

About 2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid

2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 112618431) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid
PubChem CID112618431
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)c3cccnc23)[nH]1
InChIInChI=1S/C13H8ClN3O2/c14-9-4-3-8(11-7(9)2-1-5-15-11)12-16-6-10(17-12)13(18)19/h1-6H,(H,16,17)(H,18,19)
InChIKeyCAYMLVQMLZFKCM-UHFFFAOYSA-N
XLogP2.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-quinolin-4-yl-1H-imidazole-5-carboxylic acid
CID 63867192
2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115959776
methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate
CID 63967860
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline
CID 112618090
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
CID 172791001
CID 172791001
5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 115960154
1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one
CID 116785285

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid (CID 112618431) is 2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(Cl)c3cccnc23)[nH]1.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is CAYMLVQMLZFKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-9-4-3-8(11-7(9)2-1-5-15-11)12-16-6-10(17-12)13(18)19/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid?
2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 112618431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).