3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione

C23H24N2O3S — CID 55674090

IUPAC3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C23H24N2O3S/c1-15(2)17-8-9-20-18(12-17)7-4-10-24(20)22(27)19-6-3-5-16(11-19)13-25-21(26)14-29-23(25)28/h3,5-6,8-9,11-12,15H,4,7,10,13-14H2,1-2H3
InChIKeyBAQNKDXBNSTQGI-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.60
Rot. Bonds4

About 3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione

3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 55674090) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID55674090
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C23H24N2O3S/c1-15(2)17-8-9-20-18(12-17)7-4-10-24(20)22(27)19-6-3-5-16(11-19)13-25-21(26)14-29-23(25)28/h3,5-6,8-9,11-12,15H,4,7,10,13-14H2,1-2H3
InChIKeyBAQNKDXBNSTQGI-UHFFFAOYSA-N
XLogP4.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 55632813
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 55542327
3-[[3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 55542816
1-propan-2-yl-3-[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]urea
CID 52724176
3-[[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 119490977
N-[3-(aminomethyl)pentan-3-yl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 119570514
1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one
CID 55763771
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(4-ethylphenyl)benzamide
CID 31401224
N-ethyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 60557455
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654281
N-(1-amino-4-methylpentan-2-yl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide;hydrochloride
CID 119587264
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 51114966

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 55674090) is 3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione is CC(C)c1ccc2c(c1)CCCN2C(=O)c1cccc(CN2C(=O)CSC2=O)c1.
What is the InChIKey of 3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BAQNKDXBNSTQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-15(2)17-8-9-20-18(12-17)7-4-10-24(20)22(27)19-6-3-5-16(11-19)13-25-21(26)14-29-23(25)28/h3,5-6,8-9,11-12,15H,4,7,10,13-14H2,1-2H3.
What are the key properties of 3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 408.52 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 55674090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).