N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide

C16H18N2O4S — CID 110694489

IUPACN-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(=O)n(C)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H18N2O4S/c1-17(11-7-8-23(21,22)10-11)16(20)13-9-15(19)18(2)14-6-4-3-5-12(13)14/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyLJRPSRCCKBWTDI-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.80
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide (PubChem CID 110694489) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide
PubChem CID110694489
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(=O)n(C)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H18N2O4S/c1-17(11-7-8-23(21,22)10-11)16(20)13-9-15(19)18(2)14-6-4-3-5-12(13)14/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyLJRPSRCCKBWTDI-UHFFFAOYSA-N
XLogP0.80
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18152364
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide
CID 110762572
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 95975999
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
CID 37249177
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
N-(1,1-dioxothiolan-3-yl)-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766511
N-(1-imino-1-oxothiolan-3-yl)-N,1,3-trimethyl-2-oxoquinoline-4-carboxamide
CID 154789804
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-nitrobenzamide
CID 7259784
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 51922635

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide (CID 110694489) is N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide is CN(C(=O)c1cc(=O)n(C)c2ccccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
The InChIKey is LJRPSRCCKBWTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-17(11-7-8-23(21,22)10-11)16(20)13-9-15(19)18(2)14-6-4-3-5-12(13)14/h3-6,9,11H,7-8,10H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 110694489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).