(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C22H25N4OS+ — CID 7298185

IUPAC(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC[NH+]1CCc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2C1
InChIInChI=1S/C22H24N4OS/c1-2-25-9-8-18-16(12-25)11-17-19(23)20(28-21(17)24-18)22(27)26-10-7-14-5-3-4-6-15(14)13-26/h3-6,11H,2,7-10,12-13,23H2,1H3/p+1
InChIKeyWUCKZOSKFXRLQN-UHFFFAOYSA-O
MW393.54 g/mol
LogP2.04
Rot. Bonds2

About (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 7298185) has the molecular formula C22H25N4OS+ and a molecular weight of 393.54 g/mol. Its IUPAC name is (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID7298185
Molecular FormulaC22H25N4OS+
Molecular Weight393.54 g/mol
Exact Mass393.17
IUPAC Name(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC[NH+]1CCc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2C1
InChIInChI=1S/C22H24N4OS/c1-2-25-9-8-18-16(12-25)11-17-19(23)20(28-21(17)24-18)22(27)26-10-7-14-5-3-4-6-15(14)13-26/h3-6,11H,2,7-10,12-13,23H2,1H3/p+1
InChIKeyWUCKZOSKFXRLQN-UHFFFAOYSA-O
XLogP2.04
TPSA63.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 116668339
phenyl 3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxylate
CID 4746608
ethyl 4-(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carbonyl)piperazine-1-carboxylate
CID 23859609
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone
CID 797224
(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 23971353
3-amino-N-(2-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866587
benzyl 3-amino-2-(phenylcarbamoyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-6-carboxylate
CID 155808556
[4-(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 23802459
[4-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 23999159
3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866585
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 23831200
(4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43642494

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 7298185) is (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC[NH+]1CCc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2C1.
What is the InChIKey of (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is WUCKZOSKFXRLQN-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N4OS/c1-2-25-9-8-18-16(12-25)11-17-19(23)20(28-21(17)24-18)22(27)26-10-7-14-5-3-4-6-15(14)13-26/h3-6,11H,2,7-10,12-13,23H2,1H3/p+1.
What are the key properties of (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 393.54 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 7298185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).