4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide

C18H17N5O4S — CID 23645159

IUPAC4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide
SMILESCc1nc2ccc(S(N)(=O)=O)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O
InChIInChI=1S/C18H17N5O4S/c1-8-14-15(12-7-11(28(19,26)27)5-6-13(12)20-8)18(25)23(17(14)24)16-9(2)21-22(4)10(16)3/h5-7H,1-4H3,(H2,19,26,27)
InChIKeyCKQZYMWCUWJUIP-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.34
Rot. Bonds2

About 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide

4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide (PubChem CID 23645159) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide.

Molecular Properties

Compound Name4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide
PubChem CID23645159
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide
SMILESCc1nc2ccc(S(N)(=O)=O)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O
InChIInChI=1S/C18H17N5O4S/c1-8-14-15(12-7-11(28(19,26)27)5-6-13(12)20-8)18(25)23(17(14)24)16-9(2)21-22(4)10(16)3/h5-7H,1-4H3,(H2,19,26,27)
InChIKeyCKQZYMWCUWJUIP-UHFFFAOYSA-N
XLogP1.34
TPSA128.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide?
The IUPAC name of 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide (CID 23645159) is 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide.
What is the SMILES notation for 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide?
The canonical SMILES for 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide is Cc1nc2ccc(S(N)(=O)=O)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O.
What is the InChIKey of 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide?
The InChIKey is CKQZYMWCUWJUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-8-14-15(12-7-11(28(19,26)27)5-6-13(12)20-8)18(25)23(17(14)24)16-9(2)21-22(4)10(16)3/h5-7H,1-4H3,(H2,19,26,27).
What are the key properties of 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide?
4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide has a molecular weight of 399.43 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-sulfonamide is sourced from PubChem (CID 23645159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).