1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone

C19H19N5OS — CID 2434585

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone
SMILESCc1ccccc1-n1nnnc1SCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H19N5OS/c1-14-7-2-4-10-16(14)24-19(20-21-22-24)26-13-18(25)23-12-6-9-15-8-3-5-11-17(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3
InChIKeyIGDJUMWGSGFDHL-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.04
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 2434585) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone
PubChem CID2434585
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone
SMILESCc1ccccc1-n1nnnc1SCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H19N5OS/c1-14-7-2-4-10-16(14)24-19(20-21-22-24)26-13-18(25)23-12-6-9-15-8-3-5-11-17(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3
InChIKeyIGDJUMWGSGFDHL-UHFFFAOYSA-N
XLogP3.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone
CID 2949820
3-Phenyl-7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2415764
7-[[[1-(2-Methylphenyl)-5-tetrazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2446182
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone
CID 43815690
2-[1-(4-acetylphenyl)tetrazol-5-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 646014
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 648201
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 648639
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone
CID 651431
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 652185
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone (CID 2434585) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone is Cc1ccccc1-n1nnnc1SCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is IGDJUMWGSGFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-14-7-2-4-10-16(14)24-19(20-21-22-24)26-13-18(25)23-12-6-9-15-8-3-5-11-17(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 365.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 2434585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).