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

C25H22ClN5O2 — CID 22048468

IUPAC[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol
SMILESCOc1cc(-c2cccc(Cl)c2)c2cc(C(O)(c3cncn3C)c3cncn3C)ccc2n1
InChIInChI=1S/C25H22ClN5O2/c1-30-14-27-12-22(30)25(32,23-13-28-15-31(23)2)17-7-8-21-20(10-17)19(11-24(29-21)33-3)16-5-4-6-18(26)9-16/h4-15,32H,1-3H3
InChIKeyFKDVYHJMZCZGFN-UHFFFAOYSA-N
MW459.94 g/mol
LogP4.32
Rot. Bonds5

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

[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol (PubChem CID 22048468) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol
PubChem CID22048468
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC Name[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol
SMILESCOc1cc(-c2cccc(Cl)c2)c2cc(C(O)(c3cncn3C)c3cncn3C)ccc2n1
InChIInChI=1S/C25H22ClN5O2/c1-30-14-27-12-22(30)25(32,23-13-28-15-31(23)2)17-7-8-21-20(10-17)19(11-24(29-21)33-3)16-5-4-6-18(26)9-16/h4-15,32H,1-3H3
InChIKeyFKDVYHJMZCZGFN-UHFFFAOYSA-N
XLogP4.32
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol?
The IUPAC name of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol (CID 22048468) is [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol?
The canonical SMILES for [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol is COc1cc(-c2cccc(Cl)c2)c2cc(C(O)(c3cncn3C)c3cncn3C)ccc2n1.
What is the InChIKey of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol?
The InChIKey is FKDVYHJMZCZGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c1-30-14-27-12-22(30)25(32,23-13-28-15-31(23)2)17-7-8-21-20(10-17)19(11-24(29-21)33-3)16-5-4-6-18(26)9-16/h4-15,32H,1-3H3.
What are the key properties of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol?
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol has a molecular weight of 459.94 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 22048468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).