5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline

C17H11Cl2N5S — CID 38873350

IUPAC5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline
SMILESClc1cccc(-n2nnnc2SCc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C17H11Cl2N5S/c18-12-3-1-4-13(9-12)24-17(21-22-23-24)25-10-11-6-7-15(19)14-5-2-8-20-16(11)14/h1-9H,10H2
InChIKeyUDDCZOLSUAIXBU-UHFFFAOYSA-N
MW388.28 g/mol
LogP4.81
Rot. Bonds4

About 5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline

5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline (PubChem CID 38873350) has the molecular formula C17H11Cl2N5S and a molecular weight of 388.28 g/mol. Its IUPAC name is 5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline.

Molecular Properties

Compound Name5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline
PubChem CID38873350
Molecular FormulaC17H11Cl2N5S
Molecular Weight388.28 g/mol
Exact Mass387.01
IUPAC Name5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline
SMILESClc1cccc(-n2nnnc2SCc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C17H11Cl2N5S/c18-12-3-1-4-13(9-12)24-17(21-22-23-24)25-10-11-6-7-15(19)14-5-2-8-20-16(11)14/h1-9H,10H2
InChIKeyUDDCZOLSUAIXBU-UHFFFAOYSA-N
XLogP4.81
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline
CID 38837928
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 18122497
5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline
CID 38875747
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(3-chlorophenyl)tetrazole
CID 8861158
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
CID 17437726
N-[3-[3-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]phenyl]acetamide
CID 55685166
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole
CID 134065468
1-[3-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 8858539
3-(3-chlorophenyl)-5-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 78865754

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline?
The IUPAC name of 5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline (CID 38873350) is 5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline.
What is the SMILES notation for 5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline?
The canonical SMILES for 5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline is Clc1cccc(-n2nnnc2SCc2ccc(Cl)c3cccnc23)c1.
What is the InChIKey of 5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline?
The InChIKey is UDDCZOLSUAIXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5S/c18-12-3-1-4-13(9-12)24-17(21-22-23-24)25-10-11-6-7-15(19)14-5-2-8-20-16(11)14/h1-9H,10H2.
What are the key properties of 5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline?
5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline has a molecular weight of 388.28 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline is sourced from PubChem (CID 38873350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).