2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol

C22H22F3N3O3 — CID 10113707

IUPAC2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol
SMILESCOc1ccc(N2CCc3c(NCCO)nc4c(OC(F)(F)F)cccc4c32)c(C)c1
InChIInChI=1S/C22H22F3N3O3/c1-13-12-14(30-2)6-7-17(13)28-10-8-16-20(28)15-4-3-5-18(31-22(23,24)25)19(15)27-21(16)26-9-11-29/h3-7,12,29H,8-11H2,1-2H3,(H,26,27)
InChIKeyZFDXQUVDLKGYIL-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.55
Rot. Bonds6

About 2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol

2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol (PubChem CID 10113707) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol
PubChem CID10113707
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC Name2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol
SMILESCOc1ccc(N2CCc3c(NCCO)nc4c(OC(F)(F)F)cccc4c32)c(C)c1
InChIInChI=1S/C22H22F3N3O3/c1-13-12-14(30-2)6-7-17(13)28-10-8-16-20(28)15-4-3-5-18(31-22(23,24)25)19(15)27-21(16)26-9-11-29/h3-7,12,29H,8-11H2,1-2H3,(H,26,27)
InChIKeyZFDXQUVDLKGYIL-UHFFFAOYSA-N
XLogP4.55
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol (CID 10113707) is 2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol is COc1ccc(N2CCc3c(NCCO)nc4c(OC(F)(F)F)cccc4c32)c(C)c1.
What is the InChIKey of 2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol?
The InChIKey is ZFDXQUVDLKGYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-13-12-14(30-2)6-7-17(13)28-10-8-16-20(28)15-4-3-5-18(31-22(23,24)25)19(15)27-21(16)26-9-11-29/h3-7,12,29H,8-11H2,1-2H3,(H,26,27).
What are the key properties of 2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol?
2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol has a molecular weight of 433.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol is sourced from PubChem (CID 10113707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).