2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one

C14H12N2O — CID 129791208

IUPAC2,3,9-trimethylpyrrolo[2,3-f]quinolin-7-one
SMILESCC1=CC(=O)N=C2C1=C3C(=C(C(=N3)C)C)C=C2
InChIInChI=1S/C14H12N2O/c1-7-6-12(17)16-11-5-4-10-8(2)9(3)15-14(10)13(7)11/h4-6H,1-3H3
InChIKeyBIISXQUNPRNXRJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.50
Rot. Bonds

About 2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one

2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one (PubChem CID 129791208) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,3,9-trimethylpyrrolo[2,3-f]quinolin-7-one.

Molecular Properties

Compound Name2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one
PubChem CID129791208
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2,3,9-trimethylpyrrolo[2,3-f]quinolin-7-one
SMILESCC1=CC(=O)N=C2C1=C3C(=C(C(=N3)C)C)C=C2
InChIInChI=1S/C14H12N2O/c1-7-6-12(17)16-11-5-4-10-8(2)9(3)15-14(10)13(7)11/h4-6H,1-3H3
InChIKeyBIISXQUNPRNXRJ-UHFFFAOYSA-N
XLogP0.50
TPSA41.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity637

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Indol-2-one
CID 17904787
Pyrrolo[2,3-b]quinolone
CID 19975663
3-Methyl-oxoindole
CID 21477845
6h-Indolo[3,2-c]quinolin-6-one
CID 88656895
Indoloquinolinone
CID 129646580
Pyrrolo[2,3-g]quinolone
CID 129782230
Indenopyridone
CID 129789721
1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one
CID 129791065
2,3,5-Trimethylpyrrolo [3,2-g]-quinol-7-one
CID 129791355
2,3,8-Trimethylpyrrolo[2,3-g]quinol-6-one
CID 129791395
Pyrrolo[3,2-g]quinolin-7-one
CID 132275779
7-Methylindol-2-one
CID 17804911

Frequently Asked Questions

What is the IUPAC name of 2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one?
The IUPAC name of 2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one (CID 129791208) is 2,3,9-trimethylpyrrolo[2,3-f]quinolin-7-one.
What is the SMILES notation for 2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one?
The canonical SMILES for 2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one is CC1=CC(=O)N=C2C1=C3C(=C(C(=N3)C)C)C=C2.
What is the InChIKey of 2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one?
The InChIKey is BIISXQUNPRNXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-7-6-12(17)16-11-5-4-10-8(2)9(3)15-14(10)13(7)11/h4-6H,1-3H3.
What are the key properties of 2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one?
2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one has a molecular weight of 224.26 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one is sourced from PubChem (CID 129791208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).