N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide

C20H19N3O3S — CID 51922635

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(-c2cccnc2)nc2ccccc12)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H19N3O3S/c1-23(15-8-10-27(25,26)13-15)20(24)17-11-19(14-5-4-9-21-12-14)22-18-7-3-2-6-16(17)18/h2-7,9,11-12,15H,8,10,13H2,1H3/t15-/m0/s1
InChIKeyHVPHGYNKNWEPIY-HNNXBMFYSA-N
MW381.46 g/mol
LogP2.56
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 51922635) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID51922635
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(-c2cccnc2)nc2ccccc12)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H19N3O3S/c1-23(15-8-10-27(25,26)13-15)20(24)17-11-19(14-5-4-9-21-12-14)22-18-7-3-2-6-16(17)18/h2-7,9,11-12,15H,8,10,13H2,1H3/t15-/m0/s1
InChIKeyHVPHGYNKNWEPIY-HNNXBMFYSA-N
XLogP2.56
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 75866800
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 95975999
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 4605115
N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide
CID 110694489
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96576100
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
N-[(4-cyanophenyl)methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 39858915
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide (CID 51922635) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide is CN(C(=O)c1cc(-c2cccnc2)nc2ccccc12)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is HVPHGYNKNWEPIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23(15-8-10-27(25,26)13-15)20(24)17-11-19(14-5-4-9-21-12-14)22-18-7-3-2-6-16(17)18/h2-7,9,11-12,15H,8,10,13H2,1H3/t15-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 51922635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).