3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide

C17H15N5O3S — CID 3207423

IUPAC3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc2nc3sc(C(=O)Nc4nonc4C)c(N)c3cc2c1
InChIInChI=1S/C17H15N5O3S/c1-3-24-10-4-5-12-9(6-10)7-11-13(18)14(26-17(11)19-12)16(23)20-15-8(2)21-25-22-15/h4-7H,3,18H2,1-2H3,(H,20,22,23)
InChIKeyXLMMCGBRUDIHHC-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.37
Rot. Bonds4

About 3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide

3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3207423) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID3207423
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc2nc3sc(C(=O)Nc4nonc4C)c(N)c3cc2c1
InChIInChI=1S/C17H15N5O3S/c1-3-24-10-4-5-12-9(6-10)7-11-13(18)14(26-17(11)19-12)16(23)20-15-8(2)21-25-22-15/h4-7H,3,18H2,1-2H3,(H,20,22,23)
InChIKeyXLMMCGBRUDIHHC-UHFFFAOYSA-N
XLogP3.37
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
CID 1156787
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207407
3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 3207342
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1146714
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23830119
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-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1230786
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970201

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide (CID 3207423) is 3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide is CCOc1ccc2nc3sc(C(=O)Nc4nonc4C)c(N)c3cc2c1.
What is the InChIKey of 3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is XLMMCGBRUDIHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-3-24-10-4-5-12-9(6-10)7-11-13(18)14(26-17(11)19-12)16(23)20-15-8(2)21-25-22-15/h4-7H,3,18H2,1-2H3,(H,20,22,23).
What are the key properties of 3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide?
3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3207423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).