(2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol

C26H20Cl2N4O3 — CID 74223744

IUPAC(2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
SMILESCOc1ccc(C(O)(c2ccc3nc(Cl)c(Oc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1
InChIInChI=1S/C26H20Cl2N4O3/c1-32-15-29-14-21(32)26(33,17-9-11-22(34-2)30-13-17)16-8-10-20-19(12-16)23(27)24(25(28)31-20)35-18-6-4-3-5-7-18/h3-15,33H,1-2H3
InChIKeyIHOMEIUZNUWVSU-UHFFFAOYSA-N
MW507.38 g/mol
LogP5.76
Rot. Bonds6

About (2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol

(2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 74223744) has the molecular formula C26H20Cl2N4O3 and a molecular weight of 507.38 g/mol. Its IUPAC name is (2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
PubChem CID74223744
Molecular FormulaC26H20Cl2N4O3
Molecular Weight507.38 g/mol
Exact Mass506.09
IUPAC Name(2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
SMILESCOc1ccc(C(O)(c2ccc3nc(Cl)c(Oc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1
InChIInChI=1S/C26H20Cl2N4O3/c1-32-15-29-14-21(32)26(33,17-9-11-22(34-2)30-13-17)16-8-10-20-19(12-16)23(27)24(25(28)31-20)35-18-6-4-3-5-7-18/h3-15,33H,1-2H3
InChIKeyIHOMEIUZNUWVSU-UHFFFAOYSA-N
XLogP5.76
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.38
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol (CID 74223744) is (2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol is COc1ccc(C(O)(c2ccc3nc(Cl)c(Oc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1.
What is the InChIKey of (2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is IHOMEIUZNUWVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O3/c1-32-15-29-14-21(32)26(33,17-9-11-22(34-2)30-13-17)16-8-10-20-19(12-16)23(27)24(25(28)31-20)35-18-6-4-3-5-7-18/h3-15,33H,1-2H3.
What are the key properties of (2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
(2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 507.38 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 74223744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).