methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate

C14H11N3O2 — CID 63967860

IUPACmethyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cccc3cccnc23)[nH]1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)11-8-16-13(17-11)10-6-2-4-9-5-3-7-15-12(9)10/h2-8H,1H3,(H,16,17)
InChIKeyCXCPJTQXYANJLL-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.41
Rot. Bonds2

About methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate

methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate (PubChem CID 63967860) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate
PubChem CID63967860
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Namemethyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cccc3cccnc23)[nH]1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)11-8-16-13(17-11)10-6-2-4-9-5-3-7-15-12(9)10/h2-8H,1H3,(H,16,17)
InChIKeyCXCPJTQXYANJLL-UHFFFAOYSA-N
XLogP2.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-quinolin-8-ylbenzoate
CID 4189037
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570
methyl 2-pyrimidin-4-yl-1H-imidazole-5-carboxylate
CID 63989948
methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate
CID 104807021
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid
CID 122568161
methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 91048260
dimethyl (E)-but-2-enedioate;1,10-phenanthroline;platinum
CID 10896613
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid
CID 112618431
4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one
CID 66314256
methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate
CID 62278381

Frequently Asked Questions

What is the IUPAC name of methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate (CID 63967860) is methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate is COC(=O)c1cnc(-c2cccc3cccnc23)[nH]1.
What is the InChIKey of methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate?
The InChIKey is CXCPJTQXYANJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-14(18)11-8-16-13(17-11)10-6-2-4-9-5-3-7-15-12(9)10/h2-8H,1H3,(H,16,17).
What are the key properties of methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate?
methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 63967860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).