5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline

C14H14ClN5S — CID 38875747

IUPAC5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline
SMILESCC(C)n1nnnc1SCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14ClN5S/c1-9(2)20-14(17-18-19-20)21-8-10-5-6-12(15)11-4-3-7-16-13(10)11/h3-7,9H,8H2,1-2H3
InChIKeyBUJDBIFNBKKJSQ-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.75
Rot. Bonds4

About 5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline

5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline (PubChem CID 38875747) has the molecular formula C14H14ClN5S and a molecular weight of 319.82 g/mol. Its IUPAC name is 5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline.

Molecular Properties

Compound Name5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline
PubChem CID38875747
Molecular FormulaC14H14ClN5S
Molecular Weight319.82 g/mol
Exact Mass319.07
IUPAC Name5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline
SMILESCC(C)n1nnnc1SCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14ClN5S/c1-9(2)20-14(17-18-19-20)21-8-10-5-6-12(15)11-4-3-7-16-13(10)11/h3-7,9H,8H2,1-2H3
InChIKeyBUJDBIFNBKKJSQ-UHFFFAOYSA-N
XLogP3.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline
CID 38873350
8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine
CID 43376990
1-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
CID 38869896
2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide
CID 75416683
5-[2-(2-chlorophenyl)ethylsulfanyl]-1-propan-2-yltetrazole
CID 60603695
5-chloro-8-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline
CID 38866549
4-benzyl-3-[(5-chloroquinolin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 38871270
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
N-tert-butyl-5-[(5-chloroquinolin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 38875997
N-[3-[3-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]phenyl]acetamide
CID 55685166
N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 71933334

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline?
The IUPAC name of 5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline (CID 38875747) is 5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline.
What is the SMILES notation for 5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline?
The canonical SMILES for 5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline is CC(C)n1nnnc1SCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline?
The InChIKey is BUJDBIFNBKKJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5S/c1-9(2)20-14(17-18-19-20)21-8-10-5-6-12(15)11-4-3-7-16-13(10)11/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline?
5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline has a molecular weight of 319.82 g/mol, XLogP of 3.75, 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-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline is sourced from PubChem (CID 38875747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).