8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone

C20H16N4O4 — CID 45486499

IUPAC8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone
SMILESCc1nc2c(c3c1C(=O)C(Nc1ccccc1)=CC3=O)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H16N4O4/c1-10-14-15(16-18(21-10)23(2)20(28)24(3)19(16)27)13(25)9-12(17(14)26)22-11-7-5-4-6-8-11/h4-9,22H,1-3H3
InChIKeyVZFHAZQCMYYSPA-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.32
Rot. Bonds2

About 8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone

8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone (PubChem CID 45486499) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone.

Molecular Properties

Compound Name8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone
PubChem CID45486499
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone
SMILESCc1nc2c(c3c1C(=O)C(Nc1ccccc1)=CC3=O)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H16N4O4/c1-10-14-15(16-18(21-10)23(2)20(28)24(3)19(16)27)13(25)9-12(17(14)26)22-11-7-5-4-6-8-11/h4-9,22H,1-3H3
InChIKeyVZFHAZQCMYYSPA-UHFFFAOYSA-N
XLogP1.32
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone?
The IUPAC name of 8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone (CID 45486499) is 8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone.
What is the SMILES notation for 8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone?
The canonical SMILES for 8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone is Cc1nc2c(c3c1C(=O)C(Nc1ccccc1)=CC3=O)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone?
The InChIKey is VZFHAZQCMYYSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-10-14-15(16-18(21-10)23(2)20(28)24(3)19(16)27)13(25)9-12(17(14)26)22-11-7-5-4-6-8-11/h4-9,22H,1-3H3.
What are the key properties of 8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone?
8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone has a molecular weight of 376.37 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-2,4,6-trimethylpyrimido[4,5-c]isoquinoline-1,3,7,10-tetrone is sourced from PubChem (CID 45486499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).