6-fluoro-4-propan-2-ylquinolin-3-ol

C12H12FNO — CID 105457227

IUPAC6-fluoro-4-propan-2-ylquinolin-3-ol
SMILESCC(C)c1c(O)cnc2ccc(F)cc12
InChIInChI=1S/C12H12FNO/c1-7(2)12-9-5-8(13)3-4-10(9)14-6-11(12)15/h3-7,15H,1-2H3
InChIKeyPPWXRFABMAVPQP-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.20
Rot. Bonds1

About 6-fluoro-4-propan-2-ylquinolin-3-ol

6-fluoro-4-propan-2-ylquinolin-3-ol (PubChem CID 105457227) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 6-fluoro-4-propan-2-ylquinolin-3-ol.

Molecular Properties

Compound Name6-fluoro-4-propan-2-ylquinolin-3-ol
PubChem CID105457227
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name6-fluoro-4-propan-2-ylquinolin-3-ol
SMILESCC(C)c1c(O)cnc2ccc(F)cc12
InChIInChI=1S/C12H12FNO/c1-7(2)12-9-5-8(13)3-4-10(9)14-6-11(12)15/h3-7,15H,1-2H3
InChIKeyPPWXRFABMAVPQP-UHFFFAOYSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-4-propan-2-ylquinolin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-propan-2-ylquinolin-3-ol?
The IUPAC name of 6-fluoro-4-propan-2-ylquinolin-3-ol (CID 105457227) is 6-fluoro-4-propan-2-ylquinolin-3-ol.
What is the SMILES notation for 6-fluoro-4-propan-2-ylquinolin-3-ol?
The canonical SMILES for 6-fluoro-4-propan-2-ylquinolin-3-ol is CC(C)c1c(O)cnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-4-propan-2-ylquinolin-3-ol?
The InChIKey is PPWXRFABMAVPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-7(2)12-9-5-8(13)3-4-10(9)14-6-11(12)15/h3-7,15H,1-2H3.
What are the key properties of 6-fluoro-4-propan-2-ylquinolin-3-ol?
6-fluoro-4-propan-2-ylquinolin-3-ol has a molecular weight of 205.23 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-propan-2-ylquinolin-3-ol is sourced from PubChem (CID 105457227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).