6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline

C19H26N3O5S- — CID 175363744

IUPAC6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline
SMILESCC(C)(C)OC(=O)N1CCC(N(c2ccc3c(c2)CCC(=O)N3)S(=O)[O-])CC1
InChIInChI=1S/C19H27N3O5S/c1-19(2,3)27-18(24)21-10-8-14(9-11-21)22(28(25)26)15-5-6-16-13(12-15)4-7-17(23)20-16/h5-6,12,14H,4,7-11H2,1-3H3,(H,20,23)(H,25,26)/p-1
InChIKeyHFRFYKKKSUFHBS-UHFFFAOYSA-M
MW408.50 g/mol
LogP2.57
Rot. Bonds3

About 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline

6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline (PubChem CID 175363744) has the molecular formula C19H26N3O5S- and a molecular weight of 408.50 g/mol. Its IUPAC name is 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline
PubChem CID175363744
Molecular FormulaC19H26N3O5S-
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline
SMILESCC(C)(C)OC(=O)N1CCC(N(c2ccc3c(c2)CCC(=O)N3)S(=O)[O-])CC1
InChIInChI=1S/C19H27N3O5S/c1-19(2,3)27-18(24)21-10-8-14(9-11-21)22(28(25)26)15-5-6-16-13(12-15)4-7-17(23)20-16/h5-6,12,14H,4,7-11H2,1-3H3,(H,20,23)(H,25,26)/p-1
InChIKeyHFRFYKKKSUFHBS-UHFFFAOYSA-M
XLogP2.57
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline 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

tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
CID 75366588
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione
CID 67620494
4-[3-[(6-chloronaphthalen-2-yl)-sulfinatoamino]-2-oxopyrrolidin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine
CID 69118874
tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane
CID 143303337
tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
CID 164914870
tert-butyl 11-chloro-2-oxo-3,4,6,7,9,10-hexahydro-1H-pyrido[2,3-h][3]benzazepine-8-carboxylate
CID 58495308
tert-butyl 3-[(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]azetidine-1-carboxylate
CID 113231803
methyl N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamate
CID 115190470
tert-butyl 4-(4-chloro-N-methylanilino)piperidine-1-carboxylate
CID 169123222
tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate
CID 166132108
tert-butyl 4-[3-[methyl-(6-oxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 174362992
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812376

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline?
The IUPAC name of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline (CID 175363744) is 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline?
The canonical SMILES for 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline is CC(C)(C)OC(=O)N1CCC(N(c2ccc3c(c2)CCC(=O)N3)S(=O)[O-])CC1.
What is the InChIKey of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline?
The InChIKey is HFRFYKKKSUFHBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H27N3O5S/c1-19(2,3)27-18(24)21-10-8-14(9-11-21)22(28(25)26)15-5-6-16-13(12-15)4-7-17(23)20-16/h5-6,12,14H,4,7-11H2,1-3H3,(H,20,23)(H,25,26)/p-1.
What are the key properties of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline?
6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline has a molecular weight of 408.50 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-sulfinatoamino]-2-oxo-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 175363744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).