2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide

C21H22N2O2S — CID 56535021

IUPAC2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESCSc1ccc(C)c(C(=O)NCCCOc2cccc3cccnc23)c1
InChIInChI=1S/C21H22N2O2S/c1-15-9-10-17(26-2)14-18(15)21(24)23-12-5-13-25-19-8-3-6-16-7-4-11-22-20(16)19/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,23,24)
InChIKeyZPPJRPISBJYBDQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.46
Rot. Bonds7

About 2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide

2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide (PubChem CID 56535021) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
PubChem CID56535021
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESCSc1ccc(C)c(C(=O)NCCCOc2cccc3cccnc23)c1
InChIInChI=1S/C21H22N2O2S/c1-15-9-10-17(26-2)14-18(15)21(24)23-12-5-13-25-19-8-3-6-16-7-4-11-22-20(16)19/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,23,24)
InChIKeyZPPJRPISBJYBDQ-UHFFFAOYSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
5-methoxy-2-methyl-N-(2-quinolin-8-yloxyethyl)pyridine-4-carboxamide
CID 146039784
2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56585771
6-methyl-1-propan-2-yl-N-(3-quinolin-8-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 56585762
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)pyridine-4-carboxamide
CID 56585582
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 86949236
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56543299
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56544237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide (CID 56535021) is 2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide is CSc1ccc(C)c(C(=O)NCCCOc2cccc3cccnc23)c1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide?
The InChIKey is ZPPJRPISBJYBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15-9-10-17(26-2)14-18(15)21(24)23-12-5-13-25-19-8-3-6-16-7-4-11-22-20(16)19/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,23,24).
What are the key properties of 2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide?
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide has a molecular weight of 366.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide is sourced from PubChem (CID 56535021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).