2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline

C18H11ClFN3 — CID 166438141

IUPAC2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline
SMILESFc1ccc2nc(Cl)c(-c3ncc[nH]3)c(-c3ccccc3)c2c1
InChIInChI=1S/C18H11ClFN3/c19-17-16(18-21-8-9-22-18)15(11-4-2-1-3-5-11)13-10-12(20)6-7-14(13)23-17/h1-10H,(H,21,22)
InChIKeyJTXRPOYXOABWTC-UHFFFAOYSA-N
MW323.76 g/mol
LogP5.08
Rot. Bonds2

About 2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline

2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline (PubChem CID 166438141) has the molecular formula C18H11ClFN3 and a molecular weight of 323.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline
PubChem CID166438141
Molecular FormulaC18H11ClFN3
Molecular Weight323.76 g/mol
Exact Mass323.06
IUPAC Name2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline
SMILESFc1ccc2nc(Cl)c(-c3ncc[nH]3)c(-c3ccccc3)c2c1
InChIInChI=1S/C18H11ClFN3/c19-17-16(18-21-8-9-22-18)15(11-4-2-1-3-5-11)13-10-12(20)6-7-14(13)23-17/h1-10H,(H,21,22)
InChIKeyJTXRPOYXOABWTC-UHFFFAOYSA-N
XLogP5.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.76
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline?
The IUPAC name of 2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline (CID 166438141) is 2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline.
What is the SMILES notation for 2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline?
The canonical SMILES for 2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline is Fc1ccc2nc(Cl)c(-c3ncc[nH]3)c(-c3ccccc3)c2c1.
What is the InChIKey of 2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline?
The InChIKey is JTXRPOYXOABWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3/c19-17-16(18-21-8-9-22-18)15(11-4-2-1-3-5-11)13-10-12(20)6-7-14(13)23-17/h1-10H,(H,21,22).
What are the key properties of 2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline?
2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline has a molecular weight of 323.76 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-(1H-imidazol-2-yl)-4-phenylquinoline is sourced from PubChem (CID 166438141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).