(3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

C26H19Cl3N4O — CID 74223088

IUPAC(3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Nc3ccccc3)c(Cl)c2c1
InChIInChI=1S/C26H19Cl3N4O/c1-33-15-30-14-22(33)26(34,16-7-10-18(27)11-8-16)17-9-12-21-20(13-17)23(28)24(25(29)32-21)31-19-5-3-2-4-6-19/h2-15,31,34H,1H3
InChIKeyPBBLAYPQLHWIDA-UHFFFAOYSA-N
MW509.82 g/mol
LogP6.96
Rot. Bonds5

About (3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

(3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 74223088) has the molecular formula C26H19Cl3N4O and a molecular weight of 509.82 g/mol. Its IUPAC name is (3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID74223088
Molecular FormulaC26H19Cl3N4O
Molecular Weight509.82 g/mol
Exact Mass508.06
IUPAC Name(3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Nc3ccccc3)c(Cl)c2c1
InChIInChI=1S/C26H19Cl3N4O/c1-33-15-30-14-22(33)26(34,16-7-10-18(27)11-8-16)17-9-12-21-20(13-17)23(28)24(25(29)32-21)31-19-5-3-2-4-6-19/h2-15,31,34H,1H3
InChIKeyPBBLAYPQLHWIDA-UHFFFAOYSA-N
XLogP6.96
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.82
LogP ≤ 56.96
H-Bond Donors ≤ 52
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 (3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (CID 74223088) is (3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Nc3ccccc3)c(Cl)c2c1.
What is the InChIKey of (3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is PBBLAYPQLHWIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl3N4O/c1-33-15-30-14-22(33)26(34,16-7-10-18(27)11-8-16)17-9-12-21-20(13-17)23(28)24(25(29)32-21)31-19-5-3-2-4-6-19/h2-15,31,34H,1H3.
What are the key properties of (3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
(3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 509.82 g/mol, XLogP of 6.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilino-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 74223088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).