2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one

C16H15F3N2O2 — CID 143378763

IUPAC2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
SMILESCc1cc(=O)[nH]c2ccc3c(c(C)c(CO)n3CC(F)(F)F)c12
InChIInChI=1S/C16H15F3N2O2/c1-8-5-13(23)20-10-3-4-11-15(14(8)10)9(2)12(6-22)21(11)7-16(17,18)19/h3-5,22H,6-7H2,1-2H3,(H,20,23)
InChIKeyGWAUSPLLLUQDFW-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.15
Rot. Bonds2

About 2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one

2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one (PubChem CID 143378763) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
PubChem CID143378763
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
SMILESCc1cc(=O)[nH]c2ccc3c(c(C)c(CO)n3CC(F)(F)F)c12
InChIInChI=1S/C16H15F3N2O2/c1-8-5-13(23)20-10-3-4-11-15(14(8)10)9(2)12(6-22)21(11)7-16(17,18)19/h3-5,22H,6-7H2,1-2H3,(H,20,23)
InChIKeyGWAUSPLLLUQDFW-UHFFFAOYSA-N
XLogP3.15
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The IUPAC name of 2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one (CID 143378763) is 2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one.
What is the SMILES notation for 2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The canonical SMILES for 2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one is Cc1cc(=O)[nH]c2ccc3c(c(C)c(CO)n3CC(F)(F)F)c12.
What is the InChIKey of 2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The InChIKey is GWAUSPLLLUQDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-8-5-13(23)20-10-3-4-11-15(14(8)10)9(2)12(6-22)21(11)7-16(17,18)19/h3-5,22H,6-7H2,1-2H3,(H,20,23).
What are the key properties of 2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one has a molecular weight of 324.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,9-dimethyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one is sourced from PubChem (CID 143378763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).