3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione

C20H18N2O2S — CID 118553545

IUPAC3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione
SMILESCc1scc2c(=O)c3c(=O)n(-c4ccccc4)c(C(C)C)cc3[nH]c12
InChIInChI=1S/C20H18N2O2S/c1-11(2)16-9-15-17(19(23)14-10-25-12(3)18(14)21-15)20(24)22(16)13-7-5-4-6-8-13/h4-11,21H,1-3H3
InChIKeyXQRGOMDNAJZTEW-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.33
Rot. Bonds2

About 3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione

3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione (PubChem CID 118553545) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione.

Molecular Properties

Compound Name3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione
PubChem CID118553545
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione
SMILESCc1scc2c(=O)c3c(=O)n(-c4ccccc4)c(C(C)C)cc3[nH]c12
InChIInChI=1S/C20H18N2O2S/c1-11(2)16-9-15-17(19(23)14-10-25-12(3)18(14)21-15)20(24)22(16)13-7-5-4-6-8-13/h4-11,21H,1-3H3
InChIKeyXQRGOMDNAJZTEW-UHFFFAOYSA-N
XLogP4.33
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione?
The IUPAC name of 3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione (CID 118553545) is 3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione.
What is the SMILES notation for 3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione?
The canonical SMILES for 3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione is Cc1scc2c(=O)c3c(=O)n(-c4ccccc4)c(C(C)C)cc3[nH]c12.
What is the InChIKey of 3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione?
The InChIKey is XQRGOMDNAJZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-11(2)16-9-15-17(19(23)14-10-25-12(3)18(14)21-15)20(24)22(16)13-7-5-4-6-8-13/h4-11,21H,1-3H3.
What are the key properties of 3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione?
3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione has a molecular weight of 350.44 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione is sourced from PubChem (CID 118553545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).