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

C19H20N2OS — CID 26163816

IUPACN-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(=S)N1CCCc2ccccc21
InChIInChI=1S/C19H20N2OS/c1-14-7-2-3-9-16(14)13-18(22)20-19(23)21-12-6-10-15-8-4-5-11-17(15)21/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,20,22,23)
InChIKeySDXCZBJIHFWIKD-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.39
Rot. Bonds2

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

N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide (PubChem CID 26163816) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide
PubChem CID26163816
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(=S)N1CCCc2ccccc21
InChIInChI=1S/C19H20N2OS/c1-14-7-2-3-9-16(14)13-18(22)20-19(23)21-12-6-10-15-8-4-5-11-17(15)21/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,20,22,23)
InChIKeySDXCZBJIHFWIKD-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide
CID 19188613
N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 4778898
(E)-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-phenylprop-2-enamide
CID 905163
tert-butyl N-[2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)ethyl]carbamate
CID 84551509
3-(2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108945426
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
3,4-dihydro-2H-quinolin-1-yl-[2-[(2-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109303958
3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109232136
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 3481190
2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide
CID 53125880
ethyl 4-(3,4-dihydro-2H-quinoline-1-carbothioylamino)benzoate
CID 19686763

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide (CID 26163816) is N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC(=S)N1CCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide?
The InChIKey is SDXCZBJIHFWIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-14-7-2-3-9-16(14)13-18(22)20-19(23)21-12-6-10-15-8-4-5-11-17(15)21/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,20,22,23).
What are the key properties of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide?
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide has a molecular weight of 324.45 g/mol, XLogP of 3.39, 2 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)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 26163816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).