1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone

C14H17N5OS — CID 855244

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone
SMILESCCn1nnnc1SCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H17N5OS/c1-2-19-14(15-16-17-19)21-10-13(20)18-9-5-7-11-6-3-4-8-12(11)18/h3-4,6,8H,2,5,7,9-10H2,1H3
InChIKeyMWQALPGHKXMWRN-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.76
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone (PubChem CID 855244) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone
PubChem CID855244
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone
SMILESCCn1nnnc1SCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H17N5OS/c1-2-19-14(15-16-17-19)21-10-13(20)18-9-5-7-11-6-3-4-8-12(11)18/h3-4,6,8H,2,5,7,9-10H2,1H3
InChIKeyMWQALPGHKXMWRN-UHFFFAOYSA-N
XLogP1.76
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone (CID 855244) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone is CCn1nnnc1SCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone?
The InChIKey is MWQALPGHKXMWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-2-19-14(15-16-17-19)21-10-13(20)18-9-5-7-11-6-3-4-8-12(11)18/h3-4,6,8H,2,5,7,9-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-ethyltetrazol-5-yl)sulfanylethanone has a molecular weight of 303.39 g/mol, XLogP of 1.76, 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-ethyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 855244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).