pyrrolo[3,4-c]quinolin-4-one

C11H6N2O — CID 141247471

IUPACpyrrolo[3,4-c]quinolin-4-one
SMILESO=C1N=c2ccccc2=C2C=NC=C12
InChIInChI=1S/C11H6N2O/c14-11-9-6-12-5-8(9)7-3-1-2-4-10(7)13-11/h1-6H
InChIKeyRJHLTCIKOGNHIV-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.03
Rot. Bonds

About pyrrolo[3,4-c]quinolin-4-one

pyrrolo[3,4-c]quinolin-4-one (PubChem CID 141247471) has the molecular formula C11H6N2O and a molecular weight of 182.18 g/mol. Its IUPAC name is pyrrolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Namepyrrolo[3,4-c]quinolin-4-one
PubChem CID141247471
Molecular FormulaC11H6N2O
Molecular Weight182.18 g/mol
Exact Mass182.05
IUPAC Namepyrrolo[3,4-c]quinolin-4-one
SMILESO=C1N=c2ccccc2=C2C=NC=C12
InChIInChI=1S/C11H6N2O/c14-11-9-6-12-5-8(9)7-3-1-2-4-10(7)13-11/h1-6H
InChIKeyRJHLTCIKOGNHIV-UHFFFAOYSA-N
XLogP-0.03
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-c]quinolin-4-one?
The IUPAC name of pyrrolo[3,4-c]quinolin-4-one (CID 141247471) is pyrrolo[3,4-c]quinolin-4-one.
What is the SMILES notation for pyrrolo[3,4-c]quinolin-4-one?
The canonical SMILES for pyrrolo[3,4-c]quinolin-4-one is O=C1N=c2ccccc2=C2C=NC=C12.
What is the InChIKey of pyrrolo[3,4-c]quinolin-4-one?
The InChIKey is RJHLTCIKOGNHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O/c14-11-9-6-12-5-8(9)7-3-1-2-4-10(7)13-11/h1-6H.
What are the key properties of pyrrolo[3,4-c]quinolin-4-one?
pyrrolo[3,4-c]quinolin-4-one has a molecular weight of 182.18 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 141247471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).