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

C21H24N2O2S — CID 19188613

IUPACN-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC(=S)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O2S/c1-16-10-12-18(13-11-16)25-15-5-9-20(24)22-21(26)23-14-4-7-17-6-2-3-8-19(17)23/h2-3,6,8,10-13H,4-5,7,9,14-15H2,1H3,(H,22,24,26)
InChIKeyZQZQRLMQKZTYPN-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.01
Rot. Bonds5

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

N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide (PubChem CID 19188613) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide
PubChem CID19188613
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC(=S)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O2S/c1-16-10-12-18(13-11-16)25-15-5-9-20(24)22-21(26)23-14-4-7-17-6-2-3-8-19(17)23/h2-3,6,8,10-13H,4-5,7,9,14-15H2,1H3,(H,22,24,26)
InChIKeyZQZQRLMQKZTYPN-UHFFFAOYSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-(2-methylphenyl)acetamide
CID 26163816
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955256
N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953015
4-phenoxy-N-(piperidine-1-carbothioyl)butanamide
CID 19188329
(E)-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-phenylprop-2-enamide
CID 905163
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone
CID 4732912
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
CID 54822111
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 3481190
4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide
CID 7922267
N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 4778898
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide (CID 19188613) is N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NC(=S)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide?
The InChIKey is ZQZQRLMQKZTYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-16-10-12-18(13-11-16)25-15-5-9-20(24)22-21(26)23-14-4-7-17-6-2-3-8-19(17)23/h2-3,6,8,10-13H,4-5,7,9,14-15H2,1H3,(H,22,24,26).
What are the key properties of N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide?
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide has a molecular weight of 368.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 19188613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).