N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide

C17H16N2OS — CID 728720

IUPACN-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H16N2OS/c20-16(14-8-2-1-3-9-14)18-17(21)19-12-6-10-13-7-4-5-11-15(13)19/h1-5,7-9,11H,6,10,12H2,(H,18,20,21)
InChIKeyIHEOHRXLPNPFTP-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.15
Rot. Bonds1

About N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide

N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide (PubChem CID 728720) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide
PubChem CID728720
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H16N2OS/c20-16(14-8-2-1-3-9-14)18-17(21)19-12-6-10-13-7-4-5-11-15(13)19/h1-5,7-9,11H,6,10,12H2,(H,18,20,21)
InChIKeyIHEOHRXLPNPFTP-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide (CID 728720) is N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide is O=C(NC(=S)N1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide?
The InChIKey is IHEOHRXLPNPFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-16(14-8-2-1-3-9-14)18-17(21)19-12-6-10-13-7-4-5-11-15(13)19/h1-5,7-9,11H,6,10,12H2,(H,18,20,21).
What are the key properties of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide?
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide has a molecular weight of 296.40 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide is sourced from PubChem (CID 728720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).