7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide

C19H15N3OS — CID 3627109

IUPAC7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)NCc4ccccn4)sc3nc2c1
InChIInChI=1S/C19H15N3OS/c1-12-5-6-13-9-14-10-17(24-19(14)22-16(13)8-12)18(23)21-11-15-4-2-3-7-20-15/h2-10H,11H2,1H3,(H,21,23)
InChIKeyAHLSWTAJNPTWRE-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.08
Rot. Bonds3

About 7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide

7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3627109) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID3627109
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)NCc4ccccn4)sc3nc2c1
InChIInChI=1S/C19H15N3OS/c1-12-5-6-13-9-14-10-17(24-19(14)22-16(13)8-12)18(23)21-11-15-4-2-3-7-20-15/h2-10H,11H2,1H3,(H,21,23)
InChIKeyAHLSWTAJNPTWRE-UHFFFAOYSA-N
XLogP4.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide (CID 3627109) is 7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide is Cc1ccc2cc3cc(C(=O)NCc4ccccn4)sc3nc2c1.
What is the InChIKey of 7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is AHLSWTAJNPTWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-5-6-13-9-14-10-17(24-19(14)22-16(13)8-12)18(23)21-11-15-4-2-3-7-20-15/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of 7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide?
7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3627109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).