6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide

C18H13N3OS — CID 20966421

IUPAC6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2nc3sc(C(=O)Nc4cccnc4)cc3cc2c1
InChIInChI=1S/C18H13N3OS/c1-11-4-5-15-12(7-11)8-13-9-16(23-18(13)21-15)17(22)20-14-3-2-6-19-10-14/h2-10H,1H3,(H,20,22)
InChIKeyASVPKGMXQWOZEC-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.41
Rot. Bonds2

About 6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide

6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 20966421) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID20966421
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2nc3sc(C(=O)Nc4cccnc4)cc3cc2c1
InChIInChI=1S/C18H13N3OS/c1-11-4-5-15-12(7-11)8-13-9-16(23-18(13)21-15)17(22)20-14-3-2-6-19-10-14/h2-10H,1H3,(H,20,22)
InChIKeyASVPKGMXQWOZEC-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide (CID 20966421) is 6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide is Cc1ccc2nc3sc(C(=O)Nc4cccnc4)cc3cc2c1.
What is the InChIKey of 6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is ASVPKGMXQWOZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-11-4-5-15-12(7-11)8-13-9-16(23-18(13)21-15)17(22)20-14-3-2-6-19-10-14/h2-10H,1H3,(H,20,22).
What are the key properties of 6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide?
6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-pyridin-3-ylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20966421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).