2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline

C18H13ClFN3 — CID 142492191

IUPAC2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline
SMILESCc1cc(-c2cc(F)c3nc(Cl)ccc3c2)cc2cn(C)nc12
InChIInChI=1S/C18H13ClFN3/c1-10-5-12(7-14-9-23(2)22-17(10)14)13-6-11-3-4-16(19)21-18(11)15(20)8-13/h3-9H,1-2H3
InChIKeyHGOVPPPWACKVBD-UHFFFAOYSA-N
MW325.77 g/mol
LogP4.89
Rot. Bonds1

About 2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline

2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline (PubChem CID 142492191) has the molecular formula C18H13ClFN3 and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline.

Molecular Properties

Compound Name2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline
PubChem CID142492191
Molecular FormulaC18H13ClFN3
Molecular Weight325.77 g/mol
Exact Mass325.08
IUPAC Name2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline
SMILESCc1cc(-c2cc(F)c3nc(Cl)ccc3c2)cc2cn(C)nc12
InChIInChI=1S/C18H13ClFN3/c1-10-5-12(7-14-9-23(2)22-17(10)14)13-6-11-3-4-16(19)21-18(11)15(20)8-13/h3-9H,1-2H3
InChIKeyHGOVPPPWACKVBD-UHFFFAOYSA-N
XLogP4.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 54.89
H-Bond Donors ≤ 50
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 2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline?
The IUPAC name of 2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline (CID 142492191) is 2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline.
What is the SMILES notation for 2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline?
The canonical SMILES for 2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline is Cc1cc(-c2cc(F)c3nc(Cl)ccc3c2)cc2cn(C)nc12.
What is the InChIKey of 2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline?
The InChIKey is HGOVPPPWACKVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3/c1-10-5-12(7-14-9-23(2)22-17(10)14)13-6-11-3-4-16(19)21-18(11)15(20)8-13/h3-9H,1-2H3.
What are the key properties of 2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline?
2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline has a molecular weight of 325.77 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,7-dimethylindazol-5-yl)-8-fluoroquinoline is sourced from PubChem (CID 142492191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).