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

C22H24F3N3O3 — CID 12827756

IUPAC4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine
SMILESCOc1cc(NC(C)CCCN)c2ncccc2c1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H24F3N3O3/c1-14(5-3-11-26)28-18-13-19(29-2)21(17-6-4-12-27-20(17)18)30-15-7-9-16(10-8-15)31-22(23,24)25/h4,6-10,12-14,28H,3,5,11,26H2,1-2H3
InChIKeyGPYNHNKADRCOBF-UHFFFAOYSA-N
MW435.45 g/mol
LogP5.47
Rot. Bonds9

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

4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine (PubChem CID 12827756) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine
PubChem CID12827756
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine
SMILESCOc1cc(NC(C)CCCN)c2ncccc2c1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H24F3N3O3/c1-14(5-3-11-26)28-18-13-19(29-2)21(17-6-4-12-27-20(17)18)30-15-7-9-16(10-8-15)31-22(23,24)25/h4,6-10,12-14,28H,3,5,11,26H2,1-2H3
InChIKeyGPYNHNKADRCOBF-UHFFFAOYSA-N
XLogP5.47
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine?
The IUPAC name of 4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine (CID 12827756) is 4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine.
What is the SMILES notation for 4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine?
The canonical SMILES for 4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine is COc1cc(NC(C)CCCN)c2ncccc2c1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine?
The InChIKey is GPYNHNKADRCOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-14(5-3-11-26)28-18-13-19(29-2)21(17-6-4-12-27-20(17)18)30-15-7-9-16(10-8-15)31-22(23,24)25/h4,6-10,12-14,28H,3,5,11,26H2,1-2H3.
What are the key properties of 4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine?
4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine has a molecular weight of 435.45 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-methoxy-5-[4-(trifluoromethoxy)phenoxy]quinolin-8-yl]pentane-1,4-diamine is sourced from PubChem (CID 12827756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).