3-chloro-2-imidazol-1-yl-7-methoxyquinoline

C13H10ClN3O — CID 90117535

IUPAC3-chloro-2-imidazol-1-yl-7-methoxyquinoline
SMILESCOc1ccc2cc(Cl)c(-n3ccnc3)nc2c1
InChIInChI=1S/C13H10ClN3O/c1-18-10-3-2-9-6-11(14)13(16-12(9)7-10)17-5-4-15-8-17/h2-8H,1H3
InChIKeyMCWQRVMNYWGLMP-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.08
Rot. Bonds2

About 3-chloro-2-imidazol-1-yl-7-methoxyquinoline

3-chloro-2-imidazol-1-yl-7-methoxyquinoline (PubChem CID 90117535) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-chloro-2-imidazol-1-yl-7-methoxyquinoline.

Molecular Properties

Compound Name3-chloro-2-imidazol-1-yl-7-methoxyquinoline
PubChem CID90117535
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name3-chloro-2-imidazol-1-yl-7-methoxyquinoline
SMILESCOc1ccc2cc(Cl)c(-n3ccnc3)nc2c1
InChIInChI=1S/C13H10ClN3O/c1-18-10-3-2-9-6-11(14)13(16-12(9)7-10)17-5-4-15-8-17/h2-8H,1H3
InChIKeyMCWQRVMNYWGLMP-UHFFFAOYSA-N
XLogP3.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-imidazol-1-yl-7-methoxyquinoline?
The IUPAC name of 3-chloro-2-imidazol-1-yl-7-methoxyquinoline (CID 90117535) is 3-chloro-2-imidazol-1-yl-7-methoxyquinoline.
What is the SMILES notation for 3-chloro-2-imidazol-1-yl-7-methoxyquinoline?
The canonical SMILES for 3-chloro-2-imidazol-1-yl-7-methoxyquinoline is COc1ccc2cc(Cl)c(-n3ccnc3)nc2c1.
What is the InChIKey of 3-chloro-2-imidazol-1-yl-7-methoxyquinoline?
The InChIKey is MCWQRVMNYWGLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-18-10-3-2-9-6-11(14)13(16-12(9)7-10)17-5-4-15-8-17/h2-8H,1H3.
What are the key properties of 3-chloro-2-imidazol-1-yl-7-methoxyquinoline?
3-chloro-2-imidazol-1-yl-7-methoxyquinoline has a molecular weight of 259.70 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-imidazol-1-yl-7-methoxyquinoline is sourced from PubChem (CID 90117535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).