5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile

C17H11N5OS — CID 122479001

IUPAC5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile
SMILESCOc1ccc2c(-c3ccsc3)cc(-c3n[nH]nc3C#N)nc2c1
InChIInChI=1S/C17H11N5OS/c1-23-11-2-3-12-13(10-4-5-24-9-10)7-15(19-14(12)6-11)17-16(8-18)20-22-21-17/h2-7,9H,1H3,(H,20,21,22)
InChIKeyDMSKSMIMRUCHDD-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.63
Rot. Bonds3

About 5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile

5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile (PubChem CID 122479001) has the molecular formula C17H11N5OS and a molecular weight of 333.38 g/mol. Its IUPAC name is 5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile
PubChem CID122479001
Molecular FormulaC17H11N5OS
Molecular Weight333.38 g/mol
Exact Mass333.07
IUPAC Name5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile
SMILESCOc1ccc2c(-c3ccsc3)cc(-c3n[nH]nc3C#N)nc2c1
InChIInChI=1S/C17H11N5OS/c1-23-11-2-3-12-13(10-4-5-24-9-10)7-15(19-14(12)6-11)17-16(8-18)20-22-21-17/h2-7,9H,1H3,(H,20,21,22)
InChIKeyDMSKSMIMRUCHDD-UHFFFAOYSA-N
XLogP3.63
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[7-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]-2H-triazole-4-carbonitrile
CID 122478997
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2H-triazole-4-carbonitrile
CID 122478309
5-(5-methoxy-1H-indol-3-yl)-2H-triazole-4-carbonitrile
CID 137146928
1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 58694271
5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477715
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038
7-methoxy-4-methylquinoline-2-carbonitrile
CID 82573251
6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine
CID 64980900
4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole
CID 70319073
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
2-(3,5-dimethylphenyl)-7-methoxy-4-methylquinoline
CID 58871373

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile?
The IUPAC name of 5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile (CID 122479001) is 5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile is COc1ccc2c(-c3ccsc3)cc(-c3n[nH]nc3C#N)nc2c1.
What is the InChIKey of 5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile?
The InChIKey is DMSKSMIMRUCHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5OS/c1-23-11-2-3-12-13(10-4-5-24-9-10)7-15(19-14(12)6-11)17-16(8-18)20-22-21-17/h2-7,9H,1H3,(H,20,21,22).
What are the key properties of 5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile?
5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile has a molecular weight of 333.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-4-thiophen-3-ylquinolin-2-yl)-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122479001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).