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

C19H19N5O2S — CID 654070

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
SMILESCOc1cccc(-n2nnnc2SCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H19N5O2S/c1-26-16-9-4-8-15(12-16)24-19(20-21-22-24)27-13-18(25)23-11-5-7-14-6-2-3-10-17(14)23/h2-4,6,8-10,12H,5,7,11,13H2,1H3
InChIKeyIFZCVNNELQXOTP-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.74
Rot. Bonds5

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 654070) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
PubChem CID654070
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
SMILESCOc1cccc(-n2nnnc2SCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C19H19N5O2S/c1-26-16-9-4-8-15(12-16)24-19(20-21-22-24)27-13-18(25)23-11-5-7-14-6-2-3-10-17(14)23/h2-4,6,8-10,12H,5,7,11,13H2,1H3
InChIKeyIFZCVNNELQXOTP-UHFFFAOYSA-N
XLogP2.74
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518
2-[1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-1H-tetrazol-5-ylsulfanyl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 649536
2-[1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-1H-tetrazol-5-ylsulfanyl]-1-[4-(4-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 655703
N-(4-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075026
2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 590597
N-Cyclohexyl-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 859381
N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 1102237
2-[1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-1H-tetrazol-5-ylsulfanyl]-1-(2,3-dihydro-indol-1-yl)-ethanone
CID 651037
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[1-(3,5-dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 651598
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 1175629

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone (CID 654070) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone is COc1cccc(-n2nnnc2SCC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is IFZCVNNELQXOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-26-16-9-4-8-15(12-16)24-19(20-21-22-24)27-13-18(25)23-11-5-7-14-6-2-3-10-17(14)23/h2-4,6,8-10,12H,5,7,11,13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 381.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 654070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).