4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine

C24H28F3N3O2 — CID 13268306

IUPAC4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine
SMILESCCC(CCCN)Nc1cc(OC)c(Oc2cccc(C(F)(F)F)c2)c2c(C)ccnc12
InChIInChI=1S/C24H28F3N3O2/c1-4-17(8-6-11-28)30-19-14-20(31-3)23(21-15(2)10-12-29-22(19)21)32-18-9-5-7-16(13-18)24(25,26)27/h5,7,9-10,12-14,17,30H,4,6,8,11,28H2,1-3H3
InChIKeyOQVSEUIUKIHVFZ-UHFFFAOYSA-N
MW447.50 g/mol
LogP6.29
Rot. Bonds9

About 4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine

4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine (PubChem CID 13268306) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine
PubChem CID13268306
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine
SMILESCCC(CCCN)Nc1cc(OC)c(Oc2cccc(C(F)(F)F)c2)c2c(C)ccnc12
InChIInChI=1S/C24H28F3N3O2/c1-4-17(8-6-11-28)30-19-14-20(31-3)23(21-15(2)10-12-29-22(19)21)32-18-9-5-7-16(13-18)24(25,26)27/h5,7,9-10,12-14,17,30H,4,6,8,11,28H2,1-3H3
InChIKeyOQVSEUIUKIHVFZ-UHFFFAOYSA-N
XLogP6.29
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine?
The IUPAC name of 4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine (CID 13268306) is 4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine.
What is the SMILES notation for 4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine?
The canonical SMILES for 4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine is CCC(CCCN)Nc1cc(OC)c(Oc2cccc(C(F)(F)F)c2)c2c(C)ccnc12.
What is the InChIKey of 4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine?
The InChIKey is OQVSEUIUKIHVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c1-4-17(8-6-11-28)30-19-14-20(31-3)23(21-15(2)10-12-29-22(19)21)32-18-9-5-7-16(13-18)24(25,26)27/h5,7,9-10,12-14,17,30H,4,6,8,11,28H2,1-3H3.
What are the key properties of 4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine?
4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine has a molecular weight of 447.50 g/mol, XLogP of 6.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine is sourced from PubChem (CID 13268306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).