4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione

C18H13N3O2 — CID 891946

IUPAC4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(Cc1cccnc1)C2=O
InChIInChI=1S/C18H13N3O2/c1-11-15-16(13-6-2-3-7-14(13)20-11)18(23)21(17(15)22)10-12-5-4-8-19-9-12/h2-9H,10H2,1H3
InChIKeyCBWAJVKAMUVVID-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.73
Rot. Bonds2

About 4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione

4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 891946) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID891946
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(Cc1cccnc1)C2=O
InChIInChI=1S/C18H13N3O2/c1-11-15-16(13-6-2-3-7-14(13)20-11)18(23)21(17(15)22)10-12-5-4-8-19-9-12/h2-9H,10H2,1H3
InChIKeyCBWAJVKAMUVVID-UHFFFAOYSA-N
XLogP2.73
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione (CID 891946) is 4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccccc2c2c1C(=O)N(Cc1cccnc1)C2=O.
What is the InChIKey of 4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is CBWAJVKAMUVVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-11-15-16(13-6-2-3-7-14(13)20-11)18(23)21(17(15)22)10-12-5-4-8-19-9-12/h2-9H,10H2,1H3.
What are the key properties of 4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione?
4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 303.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyridin-3-ylmethyl)pyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 891946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).