7-fluoro-3-propan-2-ylquinoline

C12H12FN — CID 118097497

IUPAC7-fluoro-3-propan-2-ylquinoline
SMILESCC(C)c1cnc2cc(F)ccc2c1
InChIInChI=1S/C12H12FN/c1-8(2)10-5-9-3-4-11(13)6-12(9)14-7-10/h3-8H,1-2H3
InChIKeyTXKDTOSCPUJCGI-UHFFFAOYSA-N
MW189.23 g/mol
LogP3.50
Rot. Bonds1

About 7-fluoro-3-propan-2-ylquinoline

7-fluoro-3-propan-2-ylquinoline (PubChem CID 118097497) has the molecular formula C12H12FN and a molecular weight of 189.23 g/mol. Its IUPAC name is 7-fluoro-3-propan-2-ylquinoline.

Molecular Properties

Compound Name7-fluoro-3-propan-2-ylquinoline
PubChem CID118097497
Molecular FormulaC12H12FN
Molecular Weight189.23 g/mol
Exact Mass189.10
IUPAC Name7-fluoro-3-propan-2-ylquinoline
SMILESCC(C)c1cnc2cc(F)ccc2c1
InChIInChI=1S/C12H12FN/c1-8(2)10-5-9-3-4-11(13)6-12(9)14-7-10/h3-8H,1-2H3
InChIKeyTXKDTOSCPUJCGI-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-propan-2-ylquinoline?
The IUPAC name of 7-fluoro-3-propan-2-ylquinoline (CID 118097497) is 7-fluoro-3-propan-2-ylquinoline.
What is the SMILES notation for 7-fluoro-3-propan-2-ylquinoline?
The canonical SMILES for 7-fluoro-3-propan-2-ylquinoline is CC(C)c1cnc2cc(F)ccc2c1.
What is the InChIKey of 7-fluoro-3-propan-2-ylquinoline?
The InChIKey is TXKDTOSCPUJCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN/c1-8(2)10-5-9-3-4-11(13)6-12(9)14-7-10/h3-8H,1-2H3.
What are the key properties of 7-fluoro-3-propan-2-ylquinoline?
7-fluoro-3-propan-2-ylquinoline has a molecular weight of 189.23 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-propan-2-ylquinoline is sourced from PubChem (CID 118097497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).