6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide

C19H15N3O3S — CID 56646548

IUPAC6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cc(CO)cnc12
InChIInChI=1S/C19H15N3O3S/c1-25-16-7-14-12(3-2-4-20-14)6-15(16)22-19(24)13-10-26-17-5-11(9-23)8-21-18(13)17/h2-8,10,23H,9H2,1H3,(H,22,24)
InChIKeyCDAIGUSYJLTHBH-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.60
Rot. Bonds4

About 6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide

6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 56646548) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide
PubChem CID56646548
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cc(CO)cnc12
InChIInChI=1S/C19H15N3O3S/c1-25-16-7-14-12(3-2-4-20-14)6-15(16)22-19(24)13-10-26-17-5-11(9-23)8-21-18(13)17/h2-8,10,23H,9H2,1H3,(H,22,24)
InChIKeyCDAIGUSYJLTHBH-UHFFFAOYSA-N
XLogP3.60
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide (CID 56646548) is 6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide is COc1cc2ncccc2cc1NC(=O)c1csc2cc(CO)cnc12.
What is the InChIKey of 6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is CDAIGUSYJLTHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-25-16-7-14-12(3-2-4-20-14)6-15(16)22-19(24)13-10-26-17-5-11(9-23)8-21-18(13)17/h2-8,10,23H,9H2,1H3,(H,22,24).
What are the key properties of 6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide?
6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-N-(7-methoxyquinolin-6-yl)thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 56646548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).