9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol

C19H15F2N3O — CID 136612296

IUPAC9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCCn1cc2nc3c(-c4ccccc4F)c(F)ccc3c(N)c2c1O
InChIInChI=1S/C19H15F2N3O/c1-2-24-9-14-16(19(24)25)17(22)11-7-8-13(21)15(18(11)23-14)10-5-3-4-6-12(10)20/h3-9,25H,2,22H2,1H3
InChIKeyVZSGPHYSTZDOIO-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.44
Rot. Bonds2

About 9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol

9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136612296) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is 9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol
PubChem CID136612296
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCCn1cc2nc3c(-c4ccccc4F)c(F)ccc3c(N)c2c1O
InChIInChI=1S/C19H15F2N3O/c1-2-24-9-14-16(19(24)25)17(22)11-7-8-13(21)15(18(11)23-14)10-5-3-4-6-12(10)20/h3-9,25H,2,22H2,1H3
InChIKeyVZSGPHYSTZDOIO-UHFFFAOYSA-N
XLogP4.44
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-5-(2,4-dimethoxypyrimidin-5-yl)-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
CID 136641035
9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol
CID 136655135
9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136630982
9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649446
9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-fluoro-3-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136650959
9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136648303
9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136613450
9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136655240
9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136660033
9-amino-5-(2-fluoro-3-pyridinyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136622323
9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136625690
9-amino-2-cyclobutyl-5-(2,6-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136503764

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol (CID 136612296) is 9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol is CCn1cc2nc3c(-c4ccccc4F)c(F)ccc3c(N)c2c1O.
What is the InChIKey of 9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is VZSGPHYSTZDOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c1-2-24-9-14-16(19(24)25)17(22)11-7-8-13(21)15(18(11)23-14)10-5-3-4-6-12(10)20/h3-9,25H,2,22H2,1H3.
What are the key properties of 9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol?
9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 339.35 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136612296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).