8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione

C19H13F3N2O4S — CID 2989129

IUPAC8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione
SMILESCOc1ccc(OC)c(-c2cc3c([nH]c(=O)c4c(=O)cc(C(F)(F)F)[nH]c43)s2)c1
InChIInChI=1S/C19H13F3N2O4S/c1-27-8-3-4-12(28-2)9(5-8)13-6-10-16-15(17(26)24-18(10)29-13)11(25)7-14(23-16)19(20,21)22/h3-7H,1-2H3,(H,23,25)(H,24,26)
InChIKeyWSZUDRFMMSJTSV-UHFFFAOYSA-N
MW422.38 g/mol
LogP4.13
Rot. Bonds3

About 8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione

8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione (PubChem CID 2989129) has the molecular formula C19H13F3N2O4S and a molecular weight of 422.38 g/mol. Its IUPAC name is 8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione.

Molecular Properties

Compound Name8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione
PubChem CID2989129
Molecular FormulaC19H13F3N2O4S
Molecular Weight422.38 g/mol
Exact Mass422.05
IUPAC Name8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione
SMILESCOc1ccc(OC)c(-c2cc3c([nH]c(=O)c4c(=O)cc(C(F)(F)F)[nH]c43)s2)c1
InChIInChI=1S/C19H13F3N2O4S/c1-27-8-3-4-12(28-2)9(5-8)13-6-10-16-15(17(26)24-18(10)29-13)11(25)7-14(23-16)19(20,21)22/h3-7H,1-2H3,(H,23,25)(H,24,26)
InChIKeyWSZUDRFMMSJTSV-UHFFFAOYSA-N
XLogP4.13
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione with MolForge

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Related Compounds

4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 70271805
6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 625643
4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286773
11-(2,4-dimethoxyphenyl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 176994817
6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106516835
6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 2794452
7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
CID 11806856
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53271953
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
6-methoxy-2-(trifluoromethyl)-1H-indol-4-amine
CID 170958883
4-hydroxy-7-methoxy-3-(2-methoxyphenyl)-1H-quinolin-2-one
CID 54691271
2,3-bis(2,5-dimethoxyphenyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 11038757

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione?
The IUPAC name of 8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione (CID 2989129) is 8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione.
What is the SMILES notation for 8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione?
The canonical SMILES for 8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione is COc1ccc(OC)c(-c2cc3c([nH]c(=O)c4c(=O)cc(C(F)(F)F)[nH]c43)s2)c1.
What is the InChIKey of 8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione?
The InChIKey is WSZUDRFMMSJTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4S/c1-27-8-3-4-12(28-2)9(5-8)13-6-10-16-15(17(26)24-18(10)29-13)11(25)7-14(23-16)19(20,21)22/h3-7H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione?
8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione has a molecular weight of 422.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethoxyphenyl)-2-(trifluoromethyl)-1,6-dihydrothieno[2,3-h][1,6]naphthyridine-4,5-dione is sourced from PubChem (CID 2989129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).