methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate

C15H14N2O2S — CID 155547827

IUPACmethyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3c(C)cc(C)cc3cc2c1N
InChIInChI=1S/C15H14N2O2S/c1-7-4-8(2)12-9(5-7)6-10-11(16)13(15(18)19-3)20-14(10)17-12/h4-6H,16H2,1-3H3
InChIKeyYVNDCZIAPNBGIC-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.44
Rot. Bonds1

About methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate

methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate (PubChem CID 155547827) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate
PubChem CID155547827
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Namemethyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3c(C)cc(C)cc3cc2c1N
InChIInChI=1S/C15H14N2O2S/c1-7-4-8(2)12-9(5-7)6-10-11(16)13(15(18)19-3)20-14(10)17-12/h4-6H,16H2,1-3H3
InChIKeyYVNDCZIAPNBGIC-UHFFFAOYSA-N
XLogP3.44
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 1442795
methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 131254450
ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
CID 865150
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate
CID 155568119
methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate
CID 855651
methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate
CID 94699550
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 1207174
3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 99989482
methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
CID 36995603
3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 1374556

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate (CID 155547827) is methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate is COC(=O)c1sc2nc3c(C)cc(C)cc3cc2c1N.
What is the InChIKey of methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is YVNDCZIAPNBGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-7-4-8(2)12-9(5-7)6-10-11(16)13(15(18)19-3)20-14(10)17-12/h4-6H,16H2,1-3H3.
What are the key properties of methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate?
methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 286.36 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 155547827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).