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

C20H18N2O2S — CID 118539698

IUPAC3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione
SMILESCc1csc2[nH]c3cc(C(C)C)n(-c4ccccc4)c(=O)c3c(=O)c12
InChIInChI=1S/C20H18N2O2S/c1-11(2)15-9-14-17(18(23)16-12(3)10-25-19(16)21-14)20(24)22(15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,23)
InChIKeyDXOXKYAFYLQSRK-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.33
Rot. Bonds2

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

3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione (PubChem CID 118539698) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione.

Molecular Properties

Compound Name3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione
PubChem CID118539698
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione
SMILESCc1csc2[nH]c3cc(C(C)C)n(-c4ccccc4)c(=O)c3c(=O)c12
InChIInChI=1S/C20H18N2O2S/c1-11(2)15-9-14-17(18(23)16-12(3)10-25-19(16)21-14)20(24)22(15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,23)
InChIKeyDXOXKYAFYLQSRK-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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Related Compounds

3-methyl-7-phenyl-6-propan-2-yl-4H-thieno[3,4-b][1,6]naphthyridine-8,9-dione
CID 118553545
3,4-dimethyl-7-phenyl-6-propan-2-ylthieno[3,4-b][1,6]naphthyridine-8,9-dione
CID 118553550
9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118539694
(Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 143238478
2-chloro-9-methyl-6-phenyl-7-propan-2-ylthieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118553564
3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 2348091
8-fluoro-5-methyl-2-phenyl-3-propan-2-ylbenzo[b][1,6]naphthyridine-1,10-dione
CID 118539765
3,5-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 16768429
3-isoquinolin-4-yl-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 170772478
8-methyl-2-(2-methylphenyl)-3-propan-2-ylisoquinolin-1-one
CID 123206639
4-amino-1-phenyl-6-propan-2-ylpyridin-2-one
CID 105485847
3-[3-[1-(2,6-dichlorophenyl)ethoxy]phenyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid
CID 118098011

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione?
The IUPAC name of 3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione (CID 118539698) is 3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione.
What is the SMILES notation for 3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione?
The canonical SMILES for 3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione is Cc1csc2[nH]c3cc(C(C)C)n(-c4ccccc4)c(=O)c3c(=O)c12.
What is the InChIKey of 3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione?
The InChIKey is DXOXKYAFYLQSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-11(2)15-9-14-17(18(23)16-12(3)10-25-19(16)21-14)20(24)22(15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,23).
What are the key properties of 3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione?
3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-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-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione is sourced from PubChem (CID 118539698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).