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

C17H12ClN5S — CID 1039190

IUPAC6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
SMILESCc1cc(Sc2nnnn2-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H12ClN5S/c1-11-9-16(19-15-8-7-12(18)10-14(11)15)24-17-20-21-22-23(17)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyHFFUYZDZNGKEQM-UHFFFAOYSA-N
MW353.84 g/mol
LogP4.32
Rot. Bonds3

About 6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline

6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline (PubChem CID 1039190) has the molecular formula C17H12ClN5S and a molecular weight of 353.84 g/mol. Its IUPAC name is 6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline.

Molecular Properties

Compound Name6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
PubChem CID1039190
Molecular FormulaC17H12ClN5S
Molecular Weight353.84 g/mol
Exact Mass353.05
IUPAC Name6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
SMILESCc1cc(Sc2nnnn2-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H12ClN5S/c1-11-9-16(19-15-8-7-12(18)10-14(11)15)24-17-20-21-22-23(17)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyHFFUYZDZNGKEQM-UHFFFAOYSA-N
XLogP4.32
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The IUPAC name of 6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline (CID 1039190) is 6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline.
What is the SMILES notation for 6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The canonical SMILES for 6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline is Cc1cc(Sc2nnnn2-c2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The InChIKey is HFFUYZDZNGKEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5S/c1-11-9-16(19-15-8-7-12(18)10-14(11)15)24-17-20-21-22-23(17)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline has a molecular weight of 353.84 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline is sourced from PubChem (CID 1039190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).