3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide

C19H17N3O3S — CID 3933855

IUPAC3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(=S)Nc2cccc3ncccc23)c1
InChIInChI=1S/C19H17N3O3S/c1-24-13-9-12(10-14(11-13)25-2)18(23)22-19(26)21-17-7-3-6-16-15(17)5-4-8-20-16/h3-11H,1-2H3,(H2,21,22,23,26)
InChIKeyRUTOSMFXZIUCCP-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.38
Rot. Bonds4

About 3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide

3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide (PubChem CID 3933855) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
PubChem CID3933855
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(=S)Nc2cccc3ncccc23)c1
InChIInChI=1S/C19H17N3O3S/c1-24-13-9-12(10-14(11-13)25-2)18(23)22-19(26)21-17-7-3-6-16-15(17)5-4-8-20-16/h3-11H,1-2H3,(H2,21,22,23,26)
InChIKeyRUTOSMFXZIUCCP-UHFFFAOYSA-N
XLogP3.38
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 4027215
3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3965193
4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3884706
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3,5-dimethoxybenzoate
CID 55525549
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
1-carbamothioyl-3-quinolin-5-ylthiourea
CID 24835821
methyl N-quinolin-5-ylcarbamate
CID 110734012
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 17396837
3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide
CID 171350090
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
CID 41332969
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide (CID 3933855) is 3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide is COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc3ncccc23)c1.
What is the InChIKey of 3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide?
The InChIKey is RUTOSMFXZIUCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-24-13-9-12(10-14(11-13)25-2)18(23)22-19(26)21-17-7-3-6-16-15(17)5-4-8-20-16/h3-11H,1-2H3,(H2,21,22,23,26).
What are the key properties of 3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide?
3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide has a molecular weight of 367.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide is sourced from PubChem (CID 3933855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).