6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione

C12H9ClN2O2 — CID 10848189

IUPAC6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione
SMILESCN1Cc2c(c3cccc(Cl)c3[nH]c2=O)C1=O
InChIInChI=1S/C12H9ClN2O2/c1-15-5-7-9(12(15)17)6-3-2-4-8(13)10(6)14-11(7)16/h2-4H,5H2,1H3,(H,14,16)
InChIKeyWEHVURPFZREXHO-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.77
Rot. Bonds

About 6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione

6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione (PubChem CID 10848189) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione.

Molecular Properties

Compound Name6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione
PubChem CID10848189
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione
SMILESCN1Cc2c(c3cccc(Cl)c3[nH]c2=O)C1=O
InChIInChI=1S/C12H9ClN2O2/c1-15-5-7-9(12(15)17)6-3-2-4-8(13)10(6)14-11(7)16/h2-4H,5H2,1H3,(H,14,16)
InChIKeyWEHVURPFZREXHO-UHFFFAOYSA-N
XLogP1.77
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione?
The IUPAC name of 6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione (CID 10848189) is 6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione.
What is the SMILES notation for 6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione?
The canonical SMILES for 6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione is CN1Cc2c(c3cccc(Cl)c3[nH]c2=O)C1=O.
What is the InChIKey of 6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione?
The InChIKey is WEHVURPFZREXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-15-5-7-9(12(15)17)6-3-2-4-8(13)10(6)14-11(7)16/h2-4H,5H2,1H3,(H,14,16).
What are the key properties of 6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione?
6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione has a molecular weight of 248.67 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3,5-dihydropyrrolo[3,4-c]quinoline-1,4-dione is sourced from PubChem (CID 10848189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).