2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline

C22H24FN — CID 175915159

IUPAC2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline
SMILESCC(C)C[C@](C)(Cc1ccccc1)c1ccc2cccc(F)c2n1
InChIInChI=1S/C22H24FN/c1-16(2)14-22(3,15-17-8-5-4-6-9-17)20-13-12-18-10-7-11-19(23)21(18)24-20/h4-13,16H,14-15H2,1-3H3/t22-/m1/s1
InChIKeyNJXQWNNAOBOKBH-JOCHJYFZSA-N
MW321.44 g/mol
LogP5.92
Rot. Bonds5

About 2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline

2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline (PubChem CID 175915159) has the molecular formula C22H24FN and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline.

Molecular Properties

Compound Name2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline
PubChem CID175915159
Molecular FormulaC22H24FN
Molecular Weight321.44 g/mol
Exact Mass321.19
IUPAC Name2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline
SMILESCC(C)C[C@](C)(Cc1ccccc1)c1ccc2cccc(F)c2n1
InChIInChI=1S/C22H24FN/c1-16(2)14-22(3,15-17-8-5-4-6-9-17)20-13-12-18-10-7-11-19(23)21(18)24-20/h4-13,16H,14-15H2,1-3H3/t22-/m1/s1
InChIKeyNJXQWNNAOBOKBH-JOCHJYFZSA-N
XLogP5.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline?
The IUPAC name of 2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline (CID 175915159) is 2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline.
What is the SMILES notation for 2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline?
The canonical SMILES for 2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline is CC(C)C[C@](C)(Cc1ccccc1)c1ccc2cccc(F)c2n1.
What is the InChIKey of 2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline?
The InChIKey is NJXQWNNAOBOKBH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24FN/c1-16(2)14-22(3,15-17-8-5-4-6-9-17)20-13-12-18-10-7-11-19(23)21(18)24-20/h4-13,16H,14-15H2,1-3H3/t22-/m1/s1.
What are the key properties of 2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline?
2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline has a molecular weight of 321.44 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2,4-dimethyl-1-phenylpentan-2-yl]-8-fluoroquinoline is sourced from PubChem (CID 175915159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).