4-fluoro-6-methyl-2-propan-2-ylquinoline

C13H14FN — CID 143840207

IUPAC4-fluoro-6-methyl-2-propan-2-ylquinoline
SMILESCc1ccc2nc(C(C)C)cc(F)c2c1
InChIInChI=1S/C13H14FN/c1-8(2)13-7-11(14)10-6-9(3)4-5-12(10)15-13/h4-8H,1-3H3
InChIKeySHCGXBUDRXIMEJ-UHFFFAOYSA-N
MW203.26 g/mol
LogP3.81
Rot. Bonds1

About 4-fluoro-6-methyl-2-propan-2-ylquinoline

4-fluoro-6-methyl-2-propan-2-ylquinoline (PubChem CID 143840207) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is 4-fluoro-6-methyl-2-propan-2-ylquinoline.

Molecular Properties

Compound Name4-fluoro-6-methyl-2-propan-2-ylquinoline
PubChem CID143840207
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name4-fluoro-6-methyl-2-propan-2-ylquinoline
SMILESCc1ccc2nc(C(C)C)cc(F)c2c1
InChIInChI=1S/C13H14FN/c1-8(2)13-7-11(14)10-6-9(3)4-5-12(10)15-13/h4-8H,1-3H3
InChIKeySHCGXBUDRXIMEJ-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-2-propan-2-ylquinoline?
The IUPAC name of 4-fluoro-6-methyl-2-propan-2-ylquinoline (CID 143840207) is 4-fluoro-6-methyl-2-propan-2-ylquinoline.
What is the SMILES notation for 4-fluoro-6-methyl-2-propan-2-ylquinoline?
The canonical SMILES for 4-fluoro-6-methyl-2-propan-2-ylquinoline is Cc1ccc2nc(C(C)C)cc(F)c2c1.
What is the InChIKey of 4-fluoro-6-methyl-2-propan-2-ylquinoline?
The InChIKey is SHCGXBUDRXIMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN/c1-8(2)13-7-11(14)10-6-9(3)4-5-12(10)15-13/h4-8H,1-3H3.
What are the key properties of 4-fluoro-6-methyl-2-propan-2-ylquinoline?
4-fluoro-6-methyl-2-propan-2-ylquinoline has a molecular weight of 203.26 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-2-propan-2-ylquinoline is sourced from PubChem (CID 143840207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).