3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline

C18H15N5S — CID 4176954

IUPAC3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
SMILESCc1ccc2cc(C)c(Sc3nnnn3-c3ccccc3)nc2c1
InChIInChI=1S/C18H15N5S/c1-12-8-9-14-11-13(2)17(19-16(14)10-12)24-18-20-21-22-23(18)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyCAGIESAUWCVCJA-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.98
Rot. Bonds3

About 3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline

3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline (PubChem CID 4176954) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is 3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline.

Molecular Properties

Compound Name3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
PubChem CID4176954
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC Name3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
SMILESCc1ccc2cc(C)c(Sc3nnnn3-c3ccccc3)nc2c1
InChIInChI=1S/C18H15N5S/c1-12-8-9-14-11-13(2)17(19-16(14)10-12)24-18-20-21-22-23(18)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyCAGIESAUWCVCJA-UHFFFAOYSA-N
XLogP3.98
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-4-(3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline
CID 972436
2-propan-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 10455813
2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 44312546
2-propan-2-yl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 71584100
4-((1-Methyl-1H-tetrazol-5-yl)thio)-2-phenylquinazoline
CID 2566978
4-(3-Ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-phenylquinoline
CID 1095869
2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 44365046
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 44365094
2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 44365229
2-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 71584097
2-methyl-4-[[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
CID 71584098
1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-phenyl-
CID 3078010

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The IUPAC name of 3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline (CID 4176954) is 3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline.
What is the SMILES notation for 3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The canonical SMILES for 3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline is Cc1ccc2cc(C)c(Sc3nnnn3-c3ccccc3)nc2c1.
What is the InChIKey of 3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The InChIKey is CAGIESAUWCVCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-12-8-9-14-11-13(2)17(19-16(14)10-12)24-18-20-21-22-23(18)15-6-4-3-5-7-15/h3-11H,1-2H3.
What are the key properties of 3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline has a molecular weight of 333.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline is sourced from PubChem (CID 4176954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).