8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline

C18H15ClFN — CID 15295269

IUPAC8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2ccc(F)c(Cl)c2)c2ncccc2c1
InChIInChI=1S/C18H15ClFN/c1-11(2)14-8-13-4-3-7-21-18(13)15(9-14)12-5-6-17(20)16(19)10-12/h3-11H,1-2H3
InChIKeyRZRHHMUSPCFKRZ-UHFFFAOYSA-N
MW299.78 g/mol
LogP5.82
Rot. Bonds2

About 8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline

8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline (PubChem CID 15295269) has the molecular formula C18H15ClFN and a molecular weight of 299.78 g/mol. Its IUPAC name is 8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline.

Molecular Properties

Compound Name8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline
PubChem CID15295269
Molecular FormulaC18H15ClFN
Molecular Weight299.78 g/mol
Exact Mass299.09
IUPAC Name8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2ccc(F)c(Cl)c2)c2ncccc2c1
InChIInChI=1S/C18H15ClFN/c1-11(2)14-8-13-4-3-7-21-18(13)15(9-14)12-5-6-17(20)16(19)10-12/h3-11H,1-2H3
InChIKeyRZRHHMUSPCFKRZ-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.78
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline?
The IUPAC name of 8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline (CID 15295269) is 8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline.
What is the SMILES notation for 8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline?
The canonical SMILES for 8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline is CC(C)c1cc(-c2ccc(F)c(Cl)c2)c2ncccc2c1.
What is the InChIKey of 8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline?
The InChIKey is RZRHHMUSPCFKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN/c1-11(2)14-8-13-4-3-7-21-18(13)15(9-14)12-5-6-17(20)16(19)10-12/h3-11H,1-2H3.
What are the key properties of 8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline?
8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline has a molecular weight of 299.78 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-fluorophenyl)-6-propan-2-ylquinoline is sourced from PubChem (CID 15295269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).