3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol

C19H24F3NO4 — CID 22279273

IUPAC3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol
SMILESCOC(C)(OC)C(C)(O)c1ccc2nc(OC(C)C)cc(C(F)(F)F)c2c1
InChIInChI=1S/C19H24F3NO4/c1-11(2)27-16-10-14(19(20,21)22)13-9-12(7-8-15(13)23-16)17(3,24)18(4,25-5)26-6/h7-11,24H,1-6H3
InChIKeyWFBTXCLPRGDBKH-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.26
Rot. Bonds6

About 3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol

3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol (PubChem CID 22279273) has the molecular formula C19H24F3NO4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol
PubChem CID22279273
Molecular FormulaC19H24F3NO4
Molecular Weight387.40 g/mol
Exact Mass387.17
IUPAC Name3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol
SMILESCOC(C)(OC)C(C)(O)c1ccc2nc(OC(C)C)cc(C(F)(F)F)c2c1
InChIInChI=1S/C19H24F3NO4/c1-11(2)27-16-10-14(19(20,21)22)13-9-12(7-8-15(13)23-16)17(3,24)18(4,25-5)26-6/h7-11,24H,1-6H3
InChIKeyWFBTXCLPRGDBKH-UHFFFAOYSA-N
XLogP4.26
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol?
The IUPAC name of 3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol (CID 22279273) is 3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol.
What is the SMILES notation for 3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol?
The canonical SMILES for 3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol is COC(C)(OC)C(C)(O)c1ccc2nc(OC(C)C)cc(C(F)(F)F)c2c1.
What is the InChIKey of 3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol?
The InChIKey is WFBTXCLPRGDBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO4/c1-11(2)27-16-10-14(19(20,21)22)13-9-12(7-8-15(13)23-16)17(3,24)18(4,25-5)26-6/h7-11,24H,1-6H3.
What are the key properties of 3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol?
3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol has a molecular weight of 387.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol is sourced from PubChem (CID 22279273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).