4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol

C21H20F3N3O3 — CID 19369784

IUPAC4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol
SMILESCc1cc(O)ccc1N1CCc2c(NCCO)nc3c(OC(F)(F)F)cccc3c21
InChIInChI=1S/C21H20F3N3O3/c1-12-11-13(29)5-6-16(12)27-9-7-15-19(27)14-3-2-4-17(30-21(22,23)24)18(14)26-20(15)25-8-10-28/h2-6,11,28-29H,7-10H2,1H3,(H,25,26)
InChIKeyGGMKFKAZYCZEKA-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.25
Rot. Bonds5

About 4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol

4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol (PubChem CID 19369784) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol
PubChem CID19369784
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol
SMILESCc1cc(O)ccc1N1CCc2c(NCCO)nc3c(OC(F)(F)F)cccc3c21
InChIInChI=1S/C21H20F3N3O3/c1-12-11-13(29)5-6-16(12)27-9-7-15-19(27)14-3-2-4-17(30-21(22,23)24)18(14)26-20(15)25-8-10-28/h2-6,11,28-29H,7-10H2,1H3,(H,25,26)
InChIKeyGGMKFKAZYCZEKA-UHFFFAOYSA-N
XLogP4.25
TPSA77.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol?
The IUPAC name of 4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol (CID 19369784) is 4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol.
What is the SMILES notation for 4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol?
The canonical SMILES for 4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol is Cc1cc(O)ccc1N1CCc2c(NCCO)nc3c(OC(F)(F)F)cccc3c21.
What is the InChIKey of 4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol?
The InChIKey is GGMKFKAZYCZEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-12-11-13(29)5-6-16(12)27-9-7-15-19(27)14-3-2-4-17(30-21(22,23)24)18(14)26-20(15)25-8-10-28/h2-6,11,28-29H,7-10H2,1H3,(H,25,26).
What are the key properties of 4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol?
4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol has a molecular weight of 419.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethylamino)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl]-3-methylphenol is sourced from PubChem (CID 19369784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).