5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one

C19H20F6N2O2 — CID 22218161

IUPAC5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one
SMILESCCOCc1c2c(c3c(c1C(F)(F)F)NC(=O)C3)C=CC(CC(F)(F)F)N2CC
InChIInChI=1S/C19H20F6N2O2/c1-3-27-10(8-18(20,21)22)5-6-11-12-7-14(28)26-16(12)15(19(23,24)25)13(17(11)27)9-29-4-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,26,28)
InChIKeyRHSDLMBUTNIWJR-UHFFFAOYSA-N
MW422.37 g/mol
LogP4.91
Rot. Bonds5

About 5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one

5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one (PubChem CID 22218161) has the molecular formula C19H20F6N2O2 and a molecular weight of 422.37 g/mol. Its IUPAC name is 5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one.

Molecular Properties

Compound Name5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one
PubChem CID22218161
Molecular FormulaC19H20F6N2O2
Molecular Weight422.37 g/mol
Exact Mass422.14
IUPAC Name5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one
SMILESCCOCc1c2c(c3c(c1C(F)(F)F)NC(=O)C3)C=CC(CC(F)(F)F)N2CC
InChIInChI=1S/C19H20F6N2O2/c1-3-27-10(8-18(20,21)22)5-6-11-12-7-14(28)26-16(12)15(19(23,24)25)13(17(11)27)9-29-4-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,26,28)
InChIKeyRHSDLMBUTNIWJR-UHFFFAOYSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one?
The IUPAC name of 5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one (CID 22218161) is 5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one.
What is the SMILES notation for 5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one?
The canonical SMILES for 5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one is CCOCc1c2c(c3c(c1C(F)(F)F)NC(=O)C3)C=CC(CC(F)(F)F)N2CC.
What is the InChIKey of 5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one?
The InChIKey is RHSDLMBUTNIWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6N2O2/c1-3-27-10(8-18(20,21)22)5-6-11-12-7-14(28)26-16(12)15(19(23,24)25)13(17(11)27)9-29-4-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,26,28).
What are the key properties of 5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one?
5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one has a molecular weight of 422.37 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one is sourced from PubChem (CID 22218161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).