3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide

C17H15N5O2S — CID 3207342

IUPAC3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cc(C)c2cc3c(N)c(C(=O)Nc4nonc4C)sc3nc2c1
InChIInChI=1S/C17H15N5O2S/c1-7-4-8(2)10-6-11-13(18)14(25-17(11)19-12(10)5-7)16(23)20-15-9(3)21-24-22-15/h4-6H,18H2,1-3H3,(H,20,22,23)
InChIKeyAGUHFFWGQWJYGU-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.59
Rot. Bonds2

About 3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide

3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3207342) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID3207342
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cc(C)c2cc3c(N)c(C(=O)Nc4nonc4C)sc3nc2c1
InChIInChI=1S/C17H15N5O2S/c1-7-4-8(2)10-6-11-13(18)14(25-17(11)19-12(10)5-7)16(23)20-15-9(3)21-24-22-15/h4-6H,18H2,1-3H3,(H,20,22,23)
InChIKeyAGUHFFWGQWJYGU-UHFFFAOYSA-N
XLogP3.59
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide (CID 3207342) is 3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide is Cc1cc(C)c2cc3c(N)c(C(=O)Nc4nonc4C)sc3nc2c1.
What is the InChIKey of 3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is AGUHFFWGQWJYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-7-4-8(2)10-6-11-13(18)14(25-17(11)19-12(10)5-7)16(23)20-15-9(3)21-24-22-15/h4-6H,18H2,1-3H3,(H,20,22,23).
What are the key properties of 3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide?
3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,7-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3207342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).