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

C15H14N2O3S — CID 865502

IUPACmethyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
SMILESCCOc1ccc2nc3sc(C(=O)OC)c(N)c3cc2c1
InChIInChI=1S/C15H14N2O3S/c1-3-20-9-4-5-11-8(6-9)7-10-12(16)13(15(18)19-2)21-14(10)17-11/h4-7H,3,16H2,1-2H3
InChIKeyPNJMJHWPPGFAJI-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.22
Rot. Bonds3

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

methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate (PubChem CID 865502) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
PubChem CID865502
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Namemethyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
SMILESCCOc1ccc2nc3sc(C(=O)OC)c(N)c3cc2c1
InChIInChI=1S/C15H14N2O3S/c1-3-20-9-4-5-11-8(6-9)7-10-12(16)13(15(18)19-2)21-14(10)17-11/h4-7H,3,16H2,1-2H3
InChIKeyPNJMJHWPPGFAJI-UHFFFAOYSA-N
XLogP3.22
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207407
methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate
CID 855651
3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
CID 1156787
3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 3207423
methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate
CID 155568119
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
CID 155515018
3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 856692
3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1146714
methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate
CID 119054863
3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3167506
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate (CID 865502) is methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate is CCOc1ccc2nc3sc(C(=O)OC)c(N)c3cc2c1.
What is the InChIKey of methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is PNJMJHWPPGFAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-3-20-9-4-5-11-8(6-9)7-10-12(16)13(15(18)19-2)21-14(10)17-11/h4-7H,3,16H2,1-2H3.
What are the key properties of methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate?
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 302.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 865502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).