1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol

C22H28F6N2O — CID 90669106

IUPAC1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol
SMILESCCCCN(CCCC)CCC(O)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C22H28F6N2O/c1-3-5-10-30(11-6-4-2)12-9-19(31)17-14-20(22(26,27)28)29-18-8-7-15(13-16(17)18)21(23,24)25/h7-8,13-14,19,31H,3-6,9-12H2,1-2H3
InChIKeyTUFYMAMOYDFHEL-UHFFFAOYSA-N
MW450.47 g/mol
LogP6.60
Rot. Bonds10

About 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol

1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol (PubChem CID 90669106) has the molecular formula C22H28F6N2O and a molecular weight of 450.47 g/mol. Its IUPAC name is 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol.

Molecular Properties

Compound Name1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol
PubChem CID90669106
Molecular FormulaC22H28F6N2O
Molecular Weight450.47 g/mol
Exact Mass450.21
IUPAC Name1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol
SMILESCCCCN(CCCC)CCC(O)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C22H28F6N2O/c1-3-5-10-30(11-6-4-2)12-9-19(31)17-14-20(22(26,27)28)29-18-8-7-15(13-16(17)18)21(23,24)25/h7-8,13-14,19,31H,3-6,9-12H2,1-2H3
InChIKeyTUFYMAMOYDFHEL-UHFFFAOYSA-N
XLogP6.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.47
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol?
The IUPAC name of 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol (CID 90669106) is 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol.
What is the SMILES notation for 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol?
The canonical SMILES for 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol is CCCCN(CCCC)CCC(O)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol?
The InChIKey is TUFYMAMOYDFHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F6N2O/c1-3-5-10-30(11-6-4-2)12-9-19(31)17-14-20(22(26,27)28)29-18-8-7-15(13-16(17)18)21(23,24)25/h7-8,13-14,19,31H,3-6,9-12H2,1-2H3.
What are the key properties of 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol?
1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol has a molecular weight of 450.47 g/mol, XLogP of 6.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol is sourced from PubChem (CID 90669106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).