(4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol

C25H18Cl2N4O — CID 74222723

IUPAC(4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)nc1)c1ccc2ncc(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C25H18Cl2N4O/c1-31-15-28-14-22(31)25(32,18-8-10-23(26)30-12-18)17-7-9-21-19(11-17)24(27)20(13-29-21)16-5-3-2-4-6-16/h2-15,32H,1H3
InChIKeyKINAZFULIXPVMT-UHFFFAOYSA-N
MW461.35 g/mol
LogP5.62
Rot. Bonds4

About (4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol

(4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 74222723) has the molecular formula C25H18Cl2N4O and a molecular weight of 461.35 g/mol. Its IUPAC name is (4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
PubChem CID74222723
Molecular FormulaC25H18Cl2N4O
Molecular Weight461.35 g/mol
Exact Mass460.09
IUPAC Name(4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)nc1)c1ccc2ncc(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C25H18Cl2N4O/c1-31-15-28-14-22(31)25(32,18-8-10-23(26)30-12-18)17-7-9-21-19(11-17)24(27)20(13-29-21)16-5-3-2-4-6-16/h2-15,32H,1H3
InChIKeyKINAZFULIXPVMT-UHFFFAOYSA-N
XLogP5.62
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.35
LogP ≤ 55.62
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 (4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol (CID 74222723) is (4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc(Cl)nc1)c1ccc2ncc(-c3ccccc3)c(Cl)c2c1.
What is the InChIKey of (4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is KINAZFULIXPVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4O/c1-31-15-28-14-22(31)25(32,18-8-10-23(26)30-12-18)17-7-9-21-19(11-17)24(27)20(13-29-21)16-5-3-2-4-6-16/h2-15,32H,1H3.
What are the key properties of (4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol?
(4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 461.35 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-phenylquinolin-6-yl)-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 74222723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).