2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline

C23H17N5S — CID 10069271

IUPAC2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline
SMILESCc1cc(Sc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1
InChIInChI=1S/C23H17N5S/c1-15-14-22(20-8-4-5-9-21(20)24-15)29-17-12-10-16(11-13-17)18-6-2-3-7-19(18)23-25-27-28-26-23/h2-14H,1H3,(H,25,26,27,28)
InChIKeyMIYSAJJNPTZKNJ-UHFFFAOYSA-N
MW395.49 g/mol
LogP5.54
Rot. Bonds4

About 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline

2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline (PubChem CID 10069271) has the molecular formula C23H17N5S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline.

Molecular Properties

Compound Name2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline
PubChem CID10069271
Molecular FormulaC23H17N5S
Molecular Weight395.49 g/mol
Exact Mass395.12
IUPAC Name2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline
SMILESCc1cc(Sc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1
InChIInChI=1S/C23H17N5S/c1-15-14-22(20-8-4-5-9-21(20)24-15)29-17-12-10-16(11-13-17)18-6-2-3-7-19(18)23-25-27-28-26-23/h2-14H,1H3,(H,25,26,27,28)
InChIKeyMIYSAJJNPTZKNJ-UHFFFAOYSA-N
XLogP5.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline?
The IUPAC name of 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline (CID 10069271) is 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline.
What is the SMILES notation for 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline?
The canonical SMILES for 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline is Cc1cc(Sc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline?
The InChIKey is MIYSAJJNPTZKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5S/c1-15-14-22(20-8-4-5-9-21(20)24-15)29-17-12-10-16(11-13-17)18-6-2-3-7-19(18)23-25-27-28-26-23/h2-14H,1H3,(H,25,26,27,28).
What are the key properties of 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline?
2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline has a molecular weight of 395.49 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinoline is sourced from PubChem (CID 10069271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).