(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol

C26H18Cl3N3O — CID 90100965

IUPAC(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C26H18Cl3N3O/c1-32-15-30-14-22(32)26(33,17-7-10-19(27)11-8-17)18-9-12-21-20(13-18)24(28)23(25(29)31-21)16-5-3-2-4-6-16/h2-15,33H,1H3
InChIKeyQOYQIWQMFXCUDP-UHFFFAOYSA-N
MW494.81 g/mol
LogP6.88
Rot. Bonds4

About (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol

(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol (PubChem CID 90100965) has the molecular formula C26H18Cl3N3O and a molecular weight of 494.81 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol
PubChem CID90100965
Molecular FormulaC26H18Cl3N3O
Molecular Weight494.81 g/mol
Exact Mass493.05
IUPAC Name(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C26H18Cl3N3O/c1-32-15-30-14-22(32)26(33,17-7-10-19(27)11-8-17)18-9-12-21-20(13-18)24(28)23(25(29)31-21)16-5-3-2-4-6-16/h2-15,33H,1H3
InChIKeyQOYQIWQMFXCUDP-UHFFFAOYSA-N
XLogP6.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.81
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol (CID 90100965) is (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.
What is the InChIKey of (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is QOYQIWQMFXCUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl3N3O/c1-32-15-30-14-22(32)26(33,17-7-10-19(27)11-8-17)18-9-12-21-20(13-18)24(28)23(25(29)31-21)16-5-3-2-4-6-16/h2-15,33H,1H3.
What are the key properties of (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol?
(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 494.81 g/mol, XLogP of 6.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 90100965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).