N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine

C20H15N5OS — CID 58189587

IUPACN-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESCOc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12
InChIInChI=1S/C20H15N5OS/c1-26-16-8-3-2-7-15(16)23-20-14-9-10-27-18(14)12-5-4-6-13(17(12)24-20)19-21-11-22-25-19/h2-11H,1H3,(H,23,24)(H,21,22,25)
InChIKeyYCYQZQOOPFPJAO-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.99
Rot. Bonds4

About N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine

N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (PubChem CID 58189587) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
PubChem CID58189587
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC NameN-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESCOc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12
InChIInChI=1S/C20H15N5OS/c1-26-16-8-3-2-7-15(16)23-20-14-9-10-27-18(14)12-5-4-6-13(17(12)24-20)19-21-11-22-25-19/h2-11H,1H3,(H,23,24)(H,21,22,25)
InChIKeyYCYQZQOOPFPJAO-UHFFFAOYSA-N
XLogP4.99
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine (CID 58189587) is N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is COc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2sccc12.
What is the InChIKey of N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
The InChIKey is YCYQZQOOPFPJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c1-26-16-8-3-2-7-15(16)23-20-14-9-10-27-18(14)12-5-4-6-13(17(12)24-20)19-21-11-22-25-19/h2-11H,1H3,(H,23,24)(H,21,22,25).
What are the key properties of N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine?
N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine has a molecular weight of 373.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine is sourced from PubChem (CID 58189587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).