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

C19H15N5O2 — CID 23645158

IUPAC4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-carbonitrile
SMILESCc1nc2ccc(C#N)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O
InChIInChI=1S/C19H15N5O2/c1-9-15-16(13-7-12(8-20)5-6-14(13)21-9)19(26)24(18(15)25)17-10(2)22-23(4)11(17)3/h5-7H,1-4H3
InChIKeyLUAMQWRPSSVNOD-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.57
Rot. Bonds1

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

4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-carbonitrile (PubChem CID 23645158) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-carbonitrile
PubChem CID23645158
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-carbonitrile
SMILESCc1nc2ccc(C#N)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O
InChIInChI=1S/C19H15N5O2/c1-9-15-16(13-7-12(8-20)5-6-14(13)21-9)19(26)24(18(15)25)17-10(2)22-23(4)11(17)3/h5-7H,1-4H3
InChIKeyLUAMQWRPSSVNOD-UHFFFAOYSA-N
XLogP2.57
TPSA91.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-carbonitrile?
The IUPAC name of 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-carbonitrile (CID 23645158) is 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-carbonitrile.
What is the SMILES notation for 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-carbonitrile?
The canonical SMILES for 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-carbonitrile is Cc1nc2ccc(C#N)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-carbonitrile?
The InChIKey is LUAMQWRPSSVNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-9-15-16(13-7-12(8-20)5-6-14(13)21-9)19(26)24(18(15)25)17-10(2)22-23(4)11(17)3/h5-7H,1-4H3.
What are the key properties of 4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-carbonitrile?
4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-8-carbonitrile has a molecular weight of 345.36 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 6 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-carbonitrile is sourced from PubChem (CID 23645158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).