4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline

C17H13N5S — CID 721636

IUPAC4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
SMILESCc1cc(Sc2nnnn2-c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H13N5S/c1-12-11-16(18-15-10-6-5-9-14(12)15)23-17-19-20-21-22(17)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyARJBIGMEERVDEY-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.67
Rot. Bonds3

About 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline

4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline (PubChem CID 721636) has the molecular formula C17H13N5S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline.

Molecular Properties

Compound Name4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
PubChem CID721636
Molecular FormulaC17H13N5S
Molecular Weight319.39 g/mol
Exact Mass319.09
IUPAC Name4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
SMILESCc1cc(Sc2nnnn2-c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H13N5S/c1-12-11-16(18-15-10-6-5-9-14(12)15)23-17-19-20-21-22(17)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyARJBIGMEERVDEY-UHFFFAOYSA-N
XLogP3.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The IUPAC name of 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline (CID 721636) is 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline.
What is the SMILES notation for 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The canonical SMILES for 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline is Cc1cc(Sc2nnnn2-c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The InChIKey is ARJBIGMEERVDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S/c1-12-11-16(18-15-10-6-5-9-14(12)15)23-17-19-20-21-22(17)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline has a molecular weight of 319.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline is sourced from PubChem (CID 721636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).