9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione

C20H18N2O2S — CID 118539694

IUPAC9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
SMILESCC(C)c1cc2c(c(=O)c3ccsc3n2C)c(=O)n1-c1ccccc1
InChIInChI=1S/C20H18N2O2S/c1-12(2)15-11-16-17(18(23)14-9-10-25-20(14)21(16)3)19(24)22(15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyKVNOOYQSPBMUFF-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.03
Rot. Bonds2

About 9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione

9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione (PubChem CID 118539694) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione.

Molecular Properties

Compound Name9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
PubChem CID118539694
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
SMILESCC(C)c1cc2c(c(=O)c3ccsc3n2C)c(=O)n1-c1ccccc1
InChIInChI=1S/C20H18N2O2S/c1-12(2)15-11-16-17(18(23)14-9-10-25-20(14)21(16)3)19(24)22(15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyKVNOOYQSPBMUFF-UHFFFAOYSA-N
XLogP4.03
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118553564
3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione
CID 118553550
8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione
CID 118539765
3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione
CID 118553545
3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118539698
8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione
CID 118539667
4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;ethane;2-methylpropane
CID 158072742
7-methyl-3-oxa-9-thia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene-4-carboxylic acid
CID 96607532
10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione
CID 118523629
4-amino-1-phenyl-6-propan-2-ylpyridin-2-one
CID 105485847
2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione
CID 130200323
8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one
CID 123206639

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione?
The IUPAC name of 9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione (CID 118539694) is 9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione.
What is the SMILES notation for 9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione?
The canonical SMILES for 9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione is CC(C)c1cc2c(c(=O)c3ccsc3n2C)c(=O)n1-c1ccccc1.
What is the InChIKey of 9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione?
The InChIKey is KVNOOYQSPBMUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-12(2)15-11-16-17(18(23)14-9-10-25-20(14)21(16)3)19(24)22(15)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione?
9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione has a molecular weight of 350.44 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione is sourced from PubChem (CID 118539694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).