3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione

C21H20N2O2S — CID 118553550

IUPAC3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione
SMILESCc1scc2c(=O)c3c(=O)n(-c4ccccc4)c(C(C)C)cc3n(C)c12
InChIInChI=1S/C21H20N2O2S/c1-12(2)16-10-17-18(21(25)23(16)14-8-6-5-7-9-14)20(24)15-11-26-13(3)19(15)22(17)4/h5-12H,1-4H3
InChIKeyIKJKZGGNTQSANZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.34
Rot. Bonds2

About 3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione

3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione (PubChem CID 118553550) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione.

Molecular Properties

Compound Name3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione
PubChem CID118553550
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione
SMILESCc1scc2c(=O)c3c(=O)n(-c4ccccc4)c(C(C)C)cc3n(C)c12
InChIInChI=1S/C21H20N2O2S/c1-12(2)16-10-17-18(21(25)23(16)14-8-6-5-7-9-14)20(24)15-11-26-13(3)19(15)22(17)4/h5-12H,1-4H3
InChIKeyIKJKZGGNTQSANZ-UHFFFAOYSA-N
XLogP4.34
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione?
The IUPAC name of 3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione (CID 118553550) is 3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione.
What is the SMILES notation for 3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione?
The canonical SMILES for 3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione is Cc1scc2c(=O)c3c(=O)n(-c4ccccc4)c(C(C)C)cc3n(C)c12.
What is the InChIKey of 3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione?
The InChIKey is IKJKZGGNTQSANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-12(2)16-10-17-18(21(25)23(16)14-8-6-5-7-9-14)20(24)15-11-26-13(3)19(15)22(17)4/h5-12H,1-4H3.
What are the key properties of 3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione?
3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione has a molecular weight of 364.47 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione is sourced from PubChem (CID 118553550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).