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

C22H24F3N3O2 — CID 12827754

IUPAC4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
SMILESCOc1cc(NC(C)CCCN)c2ncccc2c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N3O2/c1-14(6-4-10-26)28-18-13-19(29-2)21(17-9-5-11-27-20(17)18)30-16-8-3-7-15(12-16)22(23,24)25/h3,5,7-9,11-14,28H,4,6,10,26H2,1-2H3
InChIKeyMEAQZLHOBBMRAX-UHFFFAOYSA-N
MW419.45 g/mol
LogP5.59
Rot. Bonds8

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

4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine (PubChem CID 12827754) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
PubChem CID12827754
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
SMILESCOc1cc(NC(C)CCCN)c2ncccc2c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N3O2/c1-14(6-4-10-26)28-18-13-19(29-2)21(17-9-5-11-27-20(17)18)30-16-8-3-7-15(12-16)22(23,24)25/h3,5,7-9,11-14,28H,4,6,10,26H2,1-2H3
InChIKeyMEAQZLHOBBMRAX-UHFFFAOYSA-N
XLogP5.59
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.45
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine with MolForge

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Related Compounds

4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 12827756
4-N-[6-methoxy-4-methyl-2-(trideuteriomethoxy)-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 25224474
4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine
CID 13268306
butanedioic acid;4-N-[6-methoxy-4-methyl-2-(trideuteriomethoxy)-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 154731824
but-2-enedioic acid;4-N-(6-methoxy-5-propoxyquinolin-8-yl)pentane-1,4-diamine
CID 70478311
[8-(5-aminopentan-2-ylamino)-2-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-6-yl]methanol;4-oxopentanoic acid
CID 158138121
tert-butyl N-[4-[[1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-yl]amino]pentyl]carbamate
CID 69411664
N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine
CID 152521142
4-N-(4-ethyl-6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 12529741
5-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 121380099
4-N-[2,6-dimethoxy-4-methyl-5-[4-(trifluoromethyl)phenyl]quinolin-8-yl]pentane-1,4-diamine
CID 50992802
2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol
CID 118707112

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine?
The IUPAC name of 4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine (CID 12827754) is 4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine.
What is the SMILES notation for 4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine?
The canonical SMILES for 4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine is COc1cc(NC(C)CCCN)c2ncccc2c1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine?
The InChIKey is MEAQZLHOBBMRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-14(6-4-10-26)28-18-13-19(29-2)21(17-9-5-11-27-20(17)18)30-16-8-3-7-15(12-16)22(23,24)25/h3,5,7-9,11-14,28H,4,6,10,26H2,1-2H3.
What are the key properties of 4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine?
4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine has a molecular weight of 419.45 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine is sourced from PubChem (CID 12827754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).