2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol

C18H24FNO — CID 177282809

IUPAC2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol
SMILESCC(C)c1cc2ccc(C(C)(C)O)nc2c(C(C)C)c1F
InChIInChI=1S/C18H24FNO/c1-10(2)13-9-12-7-8-14(18(5,6)21)20-17(12)15(11(3)4)16(13)19/h7-11,21H,1-6H3
InChIKeyKUENJVFDQLUPIV-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.85
Rot. Bonds3

About 2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol

2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol (PubChem CID 177282809) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol
PubChem CID177282809
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol
SMILESCC(C)c1cc2ccc(C(C)(C)O)nc2c(C(C)C)c1F
InChIInChI=1S/C18H24FNO/c1-10(2)13-9-12-7-8-14(18(5,6)21)20-17(12)15(11(3)4)16(13)19/h7-11,21H,1-6H3
InChIKeyKUENJVFDQLUPIV-UHFFFAOYSA-N
XLogP4.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol?
The IUPAC name of 2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol (CID 177282809) is 2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol?
The canonical SMILES for 2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol is CC(C)c1cc2ccc(C(C)(C)O)nc2c(C(C)C)c1F.
What is the InChIKey of 2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol?
The InChIKey is KUENJVFDQLUPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-10(2)13-9-12-7-8-14(18(5,6)21)20-17(12)15(11(3)4)16(13)19/h7-11,21H,1-6H3.
What are the key properties of 2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol?
2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol has a molecular weight of 289.39 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-6,8-di(propan-2-yl)quinolin-2-yl]propan-2-ol is sourced from PubChem (CID 177282809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).