propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate

C22H25N3O5S — CID 53376888

IUPACpropyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCCOC(=O)N1CCCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21
InChIInChI=1S/C22H25N3O5S/c1-2-13-30-22(27)24-12-6-9-17-14-18(10-11-20(17)24)31(28,29)25-15-19(23-21(25)26)16-7-4-3-5-8-16/h3-5,7-8,10-11,14,19H,2,6,9,12-13,15H2,1H3,(H,23,26)
InChIKeyGTBGPJOQAORMIF-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.44
Rot. Bonds5

About propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate

propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 53376888) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namepropyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID53376888
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Namepropyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCCOC(=O)N1CCCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21
InChIInChI=1S/C22H25N3O5S/c1-2-13-30-22(27)24-12-6-9-17-14-18(10-11-20(17)24)31(28,29)25-15-19(23-21(25)26)16-7-4-3-5-8-16/h3-5,7-8,10-11,14,19H,2,6,9,12-13,15H2,1H3,(H,23,26)
InChIKeyGTBGPJOQAORMIF-UHFFFAOYSA-N
XLogP3.44
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate 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

N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 140997043
(4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
CID 10322106
(4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
CID 11453684
4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
CID 21224949
1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
CID 21224887
(4S)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one;[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]azanium;chloride
CID 139057948
(2S)-2-amino-4-methylsulfanyl-N-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]butanamide
CID 86289001
2-amino-N-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]-3-phenylpropanamide
CID 21311000
tert-butyl N-[1-oxo-1-[4-[5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carbonyl]anilino]propan-2-yl]carbamate
CID 21224927
butyl N-[2-ethyl-4-(2-oxo-4-phenylimidazolidin-1-yl)sulfonylphenyl]carbamate
CID 56928733
ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate
CID 57394485
(4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[1-[3,5-dimethyl-2-[2-methyl-4-oxo-4-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]anilino]butan-2-yl]phenoxy]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 46233896

Frequently Asked Questions

What is the IUPAC name of propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 53376888) is propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate is CCCOC(=O)N1CCCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21.
What is the InChIKey of propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is GTBGPJOQAORMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-2-13-30-22(27)24-12-6-9-17-14-18(10-11-20(17)24)31(28,29)25-15-19(23-21(25)26)16-7-4-3-5-8-16/h3-5,7-8,10-11,14,19H,2,6,9,12-13,15H2,1H3,(H,23,26).
What are the key properties of propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate?
propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 443.53 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 53376888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).