3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide

C19H16N4OS — CID 729543

IUPAC3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3cccc4cccnc34)sc2n1
InChIInChI=1S/C19H16N4OS/c1-10-9-11(2)22-19-14(10)15(20)17(25-19)18(24)23-13-7-3-5-12-6-4-8-21-16(12)13/h3-9H,20H2,1-2H3,(H,23,24)
InChIKeyQRXXWISWBNPJKM-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.30
Rot. Bonds2

About 3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 729543) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID729543
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)Nc3cccc4cccnc34)sc2n1
InChIInChI=1S/C19H16N4OS/c1-10-9-11(2)22-19-14(10)15(20)17(25-19)18(24)23-13-7-3-5-12-6-4-8-21-16(12)13/h3-9H,20H2,1-2H3,(H,23,24)
InChIKeyQRXXWISWBNPJKM-UHFFFAOYSA-N
XLogP4.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide (CID 729543) is 3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)Nc3cccc4cccnc34)sc2n1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QRXXWISWBNPJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-10-9-11(2)22-19-14(10)15(20)17(25-19)18(24)23-13-7-3-5-12-6-4-8-21-16(12)13/h3-9H,20H2,1-2H3,(H,23,24).
What are the key properties of 3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-quinolin-8-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 729543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).