methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate

C12H8ClN3O2S — CID 56773895

IUPACmethyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc3ncc(Cl)cc3cc2c1N
InChIInChI=1S/C12H8ClN3O2S/c1-18-12(17)9-8(14)7-3-5-2-6(13)4-15-10(5)16-11(7)19-9/h2-4H,14H2,1H3
InChIKeyPFFZGLXRMCBFRX-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.87
Rot. Bonds1

About methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate

methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate (PubChem CID 56773895) has the molecular formula C12H8ClN3O2S and a molecular weight of 293.74 g/mol. Its IUPAC name is methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate
PubChem CID56773895
Molecular FormulaC12H8ClN3O2S
Molecular Weight293.74 g/mol
Exact Mass293.00
IUPAC Namemethyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc3ncc(Cl)cc3cc2c1N
InChIInChI=1S/C12H8ClN3O2S/c1-18-12(17)9-8(14)7-3-5-2-6(13)4-15-10(5)16-11(7)19-9/h2-4H,14H2,1H3
InChIKeyPFFZGLXRMCBFRX-UHFFFAOYSA-N
XLogP2.87
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 6-amino-11-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-12-carboxylate
CID 25190907
Methyl 3-amino-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxylate
CID 1483351
Methyl 7-(2-chloro-4-fluorophenyl)-6-oxo-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate
CID 68980008
Methyl 5-amino-4-(2-chloro-4-fluoroanilino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 68981574
Methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 84276934
Ethyl 3-amino-5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 103596001
Ethyl 5-amino-2-methylsulfanyl-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate
CID 9841171
Ethyl 5-amino-2-methylsulfanyl-4-pyridin-2-ylthieno[2,3-d]pyrimidine-6-carboxylate
CID 9841172
Methyl 3-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl)methyl)benzoate
CID 11647366
Ethyl 4-chloro-5-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylate
CID 12071223
Methyl 3-amino-5-chloro-thieno[2,3-b]pyridine-2-carboxylate
CID 18796854
Methyl 5-[1-(4-amino-6-chloropyrimidin-2-yl)sulfanylethyl]thieno[2,3-c]pyridine-3-carboxylate
CID 18799612

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate (CID 56773895) is methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate is COC(=O)c1sc2nc3ncc(Cl)cc3cc2c1N.
What is the InChIKey of methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate?
The InChIKey is PFFZGLXRMCBFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2S/c1-18-12(17)9-8(14)7-3-5-2-6(13)4-15-10(5)16-11(7)19-9/h2-4H,14H2,1H3.
What are the key properties of methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate?
methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate has a molecular weight of 293.74 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate is sourced from PubChem (CID 56773895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).