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

C28H19Cl3N2O — CID 90100481

IUPAC(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)(c2cccc(Cl)c2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)cn1
InChIInChI=1S/C28H19Cl3N2O/c1-17-10-11-21(16-32-17)28(34,19-8-5-9-22(29)14-19)20-12-13-24-23(15-20)26(30)25(27(31)33-24)18-6-3-2-4-7-18/h2-16,34H,1H3
InChIKeyGTBLSEUVUKKEHK-UHFFFAOYSA-N
MW505.83 g/mol
LogP7.85
Rot. Bonds4

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

(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 90100481) has the molecular formula C28H19Cl3N2O and a molecular weight of 505.83 g/mol. Its IUPAC name is (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol
PubChem CID90100481
Molecular FormulaC28H19Cl3N2O
Molecular Weight505.83 g/mol
Exact Mass504.06
IUPAC Name(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)(c2cccc(Cl)c2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)cn1
InChIInChI=1S/C28H19Cl3N2O/c1-17-10-11-21(16-32-17)28(34,19-8-5-9-22(29)14-19)20-12-13-24-23(15-20)26(30)25(27(31)33-24)18-6-3-2-4-7-18/h2-16,34H,1H3
InChIKeyGTBLSEUVUKKEHK-UHFFFAOYSA-N
XLogP7.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.83
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol (CID 90100481) is (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol is Cc1ccc(C(O)(c2cccc(Cl)c2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)cn1.
What is the InChIKey of (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is GTBLSEUVUKKEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Cl3N2O/c1-17-10-11-21(16-32-17)28(34,19-8-5-9-22(29)14-19)20-12-13-24-23(15-20)26(30)25(27(31)33-24)18-6-3-2-4-7-18/h2-16,34H,1H3.
What are the key properties of (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol?
(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 505.83 g/mol, XLogP of 7.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 90100481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).