1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one

C14H12N2O — CID 129791065

IUPAC1,2,9-trimethylpyrrolo[3,2-f]quinolin-7-one
SMILESCC1=CC(=O)N=C2C1=C3C(=C(N=C3C=C2)C)C
InChIInChI=1S/C14H12N2O/c1-7-6-12(17)16-10-4-5-11-14(13(7)10)8(2)9(3)15-11/h4-6H,1-3H3
InChIKeyZHFFJZHDDQWHER-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.60
Rot. Bonds

About 1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one

1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one (PubChem CID 129791065) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,2,9-trimethylpyrrolo[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one
PubChem CID129791065
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1,2,9-trimethylpyrrolo[3,2-f]quinolin-7-one
SMILESCC1=CC(=O)N=C2C1=C3C(=C(N=C3C=C2)C)C
InChIInChI=1S/C14H12N2O/c1-7-6-12(17)16-10-4-5-11-14(13(7)10)8(2)9(3)15-11/h4-6H,1-3H3
InChIKeyZHFFJZHDDQWHER-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one?
The IUPAC name of 1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one (CID 129791065) is 1,2,9-trimethylpyrrolo[3,2-f]quinolin-7-one.
What is the SMILES notation for 1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one?
The canonical SMILES for 1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one is CC1=CC(=O)N=C2C1=C3C(=C(N=C3C=C2)C)C.
What is the InChIKey of 1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one?
The InChIKey is ZHFFJZHDDQWHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-7-6-12(17)16-10-4-5-11-14(13(7)10)8(2)9(3)15-11/h4-6H,1-3H3.
What are the key properties of 1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one?
1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one has a molecular weight of 224.26 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one is sourced from PubChem (CID 129791065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).