methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate

C17H16N2O2S2 — CID 949348

IUPACmethyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3
InChIInChI=1S/C17H16N2O2S2/c1-21-17(20)15-14(18)13-12(11-7-4-8-22-11)9-5-2-3-6-10(9)19-16(13)23-15/h4,7-8H,2-3,5-6,18H2,1H3
InChIKeyVJARBRQKIXRNIY-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.27
Rot. Bonds2

About methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate

methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (PubChem CID 949348) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
PubChem CID949348
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Namemethyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3
InChIInChI=1S/C17H16N2O2S2/c1-21-17(20)15-14(18)13-12(11-7-4-8-22-11)9-5-2-3-6-10(9)19-16(13)23-15/h4,7-8H,2-3,5-6,18H2,1H3
InChIKeyVJARBRQKIXRNIY-UHFFFAOYSA-N
XLogP4.27
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (CID 949348) is methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is COC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3.
What is the InChIKey of methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is VJARBRQKIXRNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-21-17(20)15-14(18)13-12(11-7-4-8-22-11)9-5-2-3-6-10(9)19-16(13)23-15/h4,7-8H,2-3,5-6,18H2,1H3.
What are the key properties of methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 344.46 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 949348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).