(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol

C25H18Cl2N4O — CID 90101666

IUPAC(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
SMILESCn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ccccn1
InChIInChI=1S/C25H18Cl2N4O/c1-31-15-28-14-21(31)25(32,20-9-5-6-12-29-20)17-10-11-19-18(13-17)23(26)22(24(27)30-19)16-7-3-2-4-8-16/h2-15,32H,1H3
InChIKeyBLPAXKYFMHCBBQ-UHFFFAOYSA-N
MW461.35 g/mol
LogP5.62
Rot. Bonds4

About (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol

(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol (PubChem CID 90101666) has the molecular formula C25H18Cl2N4O and a molecular weight of 461.35 g/mol. Its IUPAC name is (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
PubChem CID90101666
Molecular FormulaC25H18Cl2N4O
Molecular Weight461.35 g/mol
Exact Mass460.09
IUPAC Name(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
SMILESCn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ccccn1
InChIInChI=1S/C25H18Cl2N4O/c1-31-15-28-14-21(31)25(32,20-9-5-6-12-29-20)17-10-11-19-18(13-17)23(26)22(24(27)30-19)16-7-3-2-4-8-16/h2-15,32H,1H3
InChIKeyBLPAXKYFMHCBBQ-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 (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
The IUPAC name of (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol (CID 90101666) is (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol.
What is the SMILES notation for (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
The canonical SMILES for (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol is Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ccccn1.
What is the InChIKey of (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
The InChIKey is BLPAXKYFMHCBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N4O/c1-31-15-28-14-21(31)25(32,20-9-5-6-12-29-20)17-10-11-19-18(13-17)23(26)22(24(27)30-19)16-7-3-2-4-8-16/h2-15,32H,1H3.
What are the key properties of (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol 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 (2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol is sourced from PubChem (CID 90101666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).