1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide

C22H30N4O5S — CID 131841686

IUPAC1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCN2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C22H30N4O5S/c1-2-25-16-19(22(28)23-7-10-24-8-3-4-9-24)21(27)18-15-17(5-6-20(18)25)32(29,30)26-11-13-31-14-12-26/h5-6,15-16H,2-4,7-14H2,1H3,(H,23,28)
InChIKeyAVFJSGXVLWBXSI-UHFFFAOYSA-N
MW462.57 g/mol
LogP0.87
Rot. Bonds7

About 1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide

1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide (PubChem CID 131841686) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is 1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
PubChem CID131841686
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC Name1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCN2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C22H30N4O5S/c1-2-25-16-19(22(28)23-7-10-24-8-3-4-9-24)21(27)18-15-17(5-6-20(18)25)32(29,30)26-11-13-31-14-12-26/h5-6,15-16H,2-4,7-14H2,1H3,(H,23,28)
InChIKeyAVFJSGXVLWBXSI-UHFFFAOYSA-N
XLogP0.87
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-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

6-(azepan-1-ylsulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859308
1-ethyl-N-[2-(N-ethylanilino)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859261
N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859257
N-[2-[benzyl(propan-2-yl)amino]ethyl]-1-ethyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859262
2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 35162191
6-(azepan-1-ylsulfonyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-4-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 98211122
1-methyl-6-morpholin-4-ylsulfonyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 20859121
1-ethyl-7-methyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660892
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859099
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
1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde
CID 4166421

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide (CID 131841686) is 1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide is CCn1cc(C(=O)NCCN2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide?
The InChIKey is AVFJSGXVLWBXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-2-25-16-19(22(28)23-7-10-24-8-3-4-9-24)21(27)18-15-17(5-6-20(18)25)32(29,30)26-11-13-31-14-12-26/h5-6,15-16H,2-4,7-14H2,1H3,(H,23,28).
What are the key properties of 1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide?
1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 131841686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).