1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one

C12H10N2O — CID 141055442

IUPAC1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESCC1C(=O)N=c2ccc3c(c21)C=CCN=3
InChIInChI=1S/C12H10N2O/c1-7-11-8-3-2-6-13-9(8)4-5-10(11)14-12(7)15/h2-5,7H,6H2,1H3
InChIKeyBAZCGWCIVKHCTR-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.60
Rot. Bonds

About 1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one

1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one (PubChem CID 141055442) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one
PubChem CID141055442
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESCC1C(=O)N=c2ccc3c(c21)C=CCN=3
InChIInChI=1S/C12H10N2O/c1-7-11-8-3-2-6-13-9(8)4-5-10(11)14-12(7)15/h2-5,7H,6H2,1H3
InChIKeyBAZCGWCIVKHCTR-UHFFFAOYSA-N
XLogP0.60
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
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-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one?
The IUPAC name of 1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one (CID 141055442) is 1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one.
What is the SMILES notation for 1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one?
The canonical SMILES for 1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one is CC1C(=O)N=c2ccc3c(c21)C=CCN=3.
What is the InChIKey of 1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one?
The InChIKey is BAZCGWCIVKHCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-7-11-8-3-2-6-13-9(8)4-5-10(11)14-12(7)15/h2-5,7H,6H2,1H3.
What are the key properties of 1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one?
1-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one has a molecular weight of 198.22 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-methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one is sourced from PubChem (CID 141055442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).