2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C17H24N2O3S — CID 87001063

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-13(2)14-6-7-16-15(11-14)5-3-9-19(16)17(20)12-18-8-4-10-23(18,21)22/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyGKIGOJXFVFYDIM-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.12
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 87001063) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID87001063
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C17H24N2O3S/c1-13(2)14-6-7-16-15(11-14)5-3-9-19(16)17(20)12-18-8-4-10-23(18,21)22/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyGKIGOJXFVFYDIM-UHFFFAOYSA-N
XLogP2.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one
CID 55763771
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
2-(cyclopropylmethylamino)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119718812
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-phenylpyridazin-3-one
CID 55873032
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one
CID 55674060
2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 55674160
4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 47080367
1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one
CID 87025069
1-[2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide
CID 78870942
1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 55674117
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 55674009

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 87001063) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CC(C)c1ccc2c(c1)CCCN2C(=O)CN1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is GKIGOJXFVFYDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13(2)14-6-7-16-15(11-14)5-3-9-19(16)17(20)12-18-8-4-10-23(18,21)22/h6-7,11,13H,3-5,8-10,12H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 336.46 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 87001063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).