1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C21H20N4OS — CID 59804078

IUPAC1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCOc1ccc2cc(CNCc3cnc(C)cn3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C21H20N4OS/c1-14-9-24-18(12-23-14)11-22-10-17-7-15-3-4-19(26-2)8-20(15)25-21(17)16-5-6-27-13-16/h3-9,12-13,22H,10-11H2,1-2H3
InChIKeyITPZNJMQXXYRGU-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.36
Rot. Bonds6

About 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 59804078) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID59804078
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCOc1ccc2cc(CNCc3cnc(C)cn3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C21H20N4OS/c1-14-9-24-18(12-23-14)11-22-10-17-7-15-3-4-19(26-2)8-20(15)25-21(17)16-5-6-27-13-16/h3-9,12-13,22H,10-11H2,1-2H3
InChIKeyITPZNJMQXXYRGU-UHFFFAOYSA-N
XLogP4.36
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 59804078) is 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is COc1ccc2cc(CNCc3cnc(C)cn3)c(-c3ccsc3)nc2c1.
What is the InChIKey of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is ITPZNJMQXXYRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-9-24-18(12-23-14)11-22-10-17-7-15-3-4-19(26-2)8-20(15)25-21(17)16-5-6-27-13-16/h3-9,12-13,22H,10-11H2,1-2H3.
What are the key properties of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 376.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 59804078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).