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

C26H20Cl2N4O — CID 74222221

IUPAC(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol
SMILESCc1cc(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)ccn1
InChIInChI=1S/C26H20Cl2N4O/c1-16-12-19(10-11-30-16)26(33,22-14-29-15-32(22)2)18-8-9-21-20(13-18)24(27)23(25(28)31-21)17-6-4-3-5-7-17/h3-15,33H,1-2H3
InChIKeyQIRXEQVRMUYDSG-UHFFFAOYSA-N
MW475.38 g/mol
LogP5.93
Rot. Bonds4

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

(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol (PubChem CID 74222221) has the molecular formula C26H20Cl2N4O and a molecular weight of 475.38 g/mol. Its IUPAC name is (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol
PubChem CID74222221
Molecular FormulaC26H20Cl2N4O
Molecular Weight475.38 g/mol
Exact Mass474.10
IUPAC Name(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol
SMILESCc1cc(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)ccn1
InChIInChI=1S/C26H20Cl2N4O/c1-16-12-19(10-11-30-16)26(33,22-14-29-15-32(22)2)18-8-9-21-20(13-18)24(27)23(25(28)31-21)17-6-4-3-5-7-17/h3-15,33H,1-2H3
InChIKeyQIRXEQVRMUYDSG-UHFFFAOYSA-N
XLogP5.93
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.38
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol?
The IUPAC name of (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol (CID 74222221) is (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol.
What is the SMILES notation for (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol?
The canonical SMILES for (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol is Cc1cc(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)ccn1.
What is the InChIKey of (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol?
The InChIKey is QIRXEQVRMUYDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O/c1-16-12-19(10-11-30-16)26(33,22-14-29-15-32(22)2)18-8-9-21-20(13-18)24(27)23(25(28)31-21)17-6-4-3-5-7-17/h3-15,33H,1-2H3.
What are the key properties of (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol?
(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol has a molecular weight of 475.38 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol is sourced from PubChem (CID 74222221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).