9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one

C19H17FN4O — CID 59868304

IUPAC9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3c(-c4cnccc4C)c(F)ccc3c(N)c2C1=O
InChIInChI=1S/C19H17FN4O/c1-3-24-9-14-16(19(24)25)17(21)11-4-5-13(20)15(18(11)23-14)12-8-22-7-6-10(12)2/h4-8H,3,9H2,1-2H3,(H2,21,23)
InChIKeyADOISMZOKMDYBH-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.30
Rot. Bonds2

About 9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one

9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 59868304) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID59868304
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3c(-c4cnccc4C)c(F)ccc3c(N)c2C1=O
InChIInChI=1S/C19H17FN4O/c1-3-24-9-14-16(19(24)25)17(21)11-4-5-13(20)15(18(11)23-14)12-8-22-7-6-10(12)2/h4-8H,3,9H2,1-2H3,(H2,21,23)
InChIKeyADOISMZOKMDYBH-UHFFFAOYSA-N
XLogP3.30
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one (CID 59868304) is 9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one is CCN1Cc2nc3c(-c4cnccc4C)c(F)ccc3c(N)c2C1=O.
What is the InChIKey of 9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is ADOISMZOKMDYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-3-24-9-14-16(19(24)25)17(21)11-4-5-13(20)15(18(11)23-14)12-8-22-7-6-10(12)2/h4-8H,3,9H2,1-2H3,(H2,21,23).
What are the key properties of 9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 336.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 59868304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).