(S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol

C25H17Cl2FN4O — CID 163993690

IUPAC(S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@](O)(c1ccnc(F)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C25H17Cl2FN4O/c1-32-12-11-30-24(32)25(33,17-9-10-29-20(28)14-17)16-7-8-19-18(13-16)22(26)21(23(27)31-19)15-5-3-2-4-6-15/h2-14,33H,1H3/t25-/m0/s1
InChIKeyUCUWSCFHYLUMMT-VWLOTQADSA-N
MW479.34 g/mol
LogP5.76
Rot. Bonds4

About (S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol

(S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol (PubChem CID 163993690) has the molecular formula C25H17Cl2FN4O and a molecular weight of 479.34 g/mol. Its IUPAC name is (S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol
PubChem CID163993690
Molecular FormulaC25H17Cl2FN4O
Molecular Weight479.34 g/mol
Exact Mass478.08
IUPAC Name(S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@](O)(c1ccnc(F)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C25H17Cl2FN4O/c1-32-12-11-30-24(32)25(33,17-9-10-29-20(28)14-17)16-7-8-19-18(13-16)22(26)21(23(27)31-19)15-5-3-2-4-6-15/h2-14,33H,1H3/t25-/m0/s1
InChIKeyUCUWSCFHYLUMMT-VWLOTQADSA-N
XLogP5.76
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.34
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol with MolForge

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Launch Full Analysis

Related Compounds

(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
CID 138115387
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol
CID 74222221
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-quinolin-4-ylmethanol
CID 117869728
[4-Chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanol
CID 118022419
(4-Chloro-2-methoxy-3-((4-(trifluoromethyl)piperidin-1-yl)methyl)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(2-(trifluoromethyl)pyridin-4-yl)methanol
CID 118022425
(4-Chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221008
(3-Benzyl-2,4-dichloroquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74221196
(4-Chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74221267
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-3-ylmethanol
CID 74222048
(4-Chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
CID 74222308
(4-Chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol
CID 74222808
(2,4-Dichloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol
CID 74222810

Frequently Asked Questions

What is the IUPAC name of (S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol (CID 163993690) is (S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol is Cn1ccnc1[C@@](O)(c1ccnc(F)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.
What is the InChIKey of (S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol?
The InChIKey is UCUWSCFHYLUMMT-VWLOTQADSA-N. The full InChI is InChI=1S/C25H17Cl2FN4O/c1-32-12-11-30-24(32)25(33,17-9-10-29-20(28)14-17)16-7-8-19-18(13-16)22(26)21(23(27)31-19)15-5-3-2-4-6-15/h2-14,33H,1H3/t25-/m0/s1.
What are the key properties of (S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol?
(S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol has a molecular weight of 479.34 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 163993690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).