2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one

C13H11FN2O — CID 69241636

IUPAC2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3cc(F)ccc3cc2C1=O
InChIInChI=1S/C13H11FN2O/c1-2-16-7-12-10(13(16)17)5-8-3-4-9(14)6-11(8)15-12/h3-6H,2,7H2,1H3
InChIKeyWONBCRXNLLFJOA-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.35
Rot. Bonds1

About 2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one

2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 69241636) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID69241636
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3cc(F)ccc3cc2C1=O
InChIInChI=1S/C13H11FN2O/c1-2-16-7-12-10(13(16)17)5-8-3-4-9(14)6-11(8)15-12/h3-6H,2,7H2,1H3
InChIKeyWONBCRXNLLFJOA-UHFFFAOYSA-N
XLogP2.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one (CID 69241636) is 2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one is CCN1Cc2nc3cc(F)ccc3cc2C1=O.
What is the InChIKey of 2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is WONBCRXNLLFJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-2-16-7-12-10(13(16)17)5-8-3-4-9(14)6-11(8)15-12/h3-6H,2,7H2,1H3.
What are the key properties of 2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one?
2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 230.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 69241636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).