[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol

C21H18ClN3O2 — CID 22048492

IUPAC[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESCOc1cc(-c2cccc(Cl)c2)c2cc(C(O)c3cncn3C)ccc2n1
InChIInChI=1S/C21H18ClN3O2/c1-25-12-23-11-19(25)21(26)14-6-7-18-17(9-14)16(10-20(24-18)27-2)13-4-3-5-15(22)8-13/h3-12,21,26H,1-2H3
InChIKeyAWLGKYKFTFZIGK-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.38
Rot. Bonds4

About [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol

[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 22048492) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
PubChem CID22048492
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESCOc1cc(-c2cccc(Cl)c2)c2cc(C(O)c3cncn3C)ccc2n1
InChIInChI=1S/C21H18ClN3O2/c1-25-12-23-11-19(25)21(26)14-6-7-18-17(9-14)16(10-20(24-18)27-2)13-4-3-5-15(22)8-13/h3-12,21,26H,1-2H3
InChIKeyAWLGKYKFTFZIGK-UHFFFAOYSA-N
XLogP4.38
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The IUPAC name of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol (CID 22048492) is [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol is COc1cc(-c2cccc(Cl)c2)c2cc(C(O)c3cncn3C)ccc2n1.
What is the InChIKey of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The InChIKey is AWLGKYKFTFZIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-25-12-23-11-19(25)21(26)14-6-7-18-17(9-14)16(10-20(24-18)27-2)13-4-3-5-15(22)8-13/h3-12,21,26H,1-2H3.
What are the key properties of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 379.85 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 22048492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).