1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide

C21H29N3O4S — CID 15996290

IUPAC1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O
InChIInChI=1S/C21H29N3O4S/c1-4-10-23(11-5-2)21(26)18-15-22(3)19-9-8-16(14-17(19)20(18)25)29(27,28)24-12-6-7-13-24/h8-9,14-15H,4-7,10-13H2,1-3H3
InChIKeyDLWSBMFHJTXMKE-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.59
Rot. Bonds7

About 1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide

1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide (PubChem CID 15996290) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
PubChem CID15996290
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O
InChIInChI=1S/C21H29N3O4S/c1-4-10-23(11-5-2)21(26)18-15-22(3)19-9-8-16(14-17(19)20(18)25)29(27,28)24-12-6-7-13-24/h8-9,14-15H,4-7,10-13H2,1-3H3
InChIKeyDLWSBMFHJTXMKE-UHFFFAOYSA-N
XLogP2.59
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-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-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
CID 55347248
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859099
1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 20859121
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859102
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 3237700
methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate
CID 3514261
6-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859157
1-methyl-5-piperidin-1-ylsulfonylindole-3-carbaldehyde
CID 4070689
1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859261
1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole
CID 169298772
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78855508
N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28590980

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide (CID 15996290) is 1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide is CCCN(CCC)C(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O.
What is the InChIKey of 1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide?
The InChIKey is DLWSBMFHJTXMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-4-10-23(11-5-2)21(26)18-15-22(3)19-9-8-16(14-17(19)20(18)25)29(27,28)24-12-6-7-13-24/h8-9,14-15H,4-7,10-13H2,1-3H3.
What are the key properties of 1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide?
1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 15996290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).