6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C16H20N2O2S — CID 71875144

IUPAC6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC1SCCN1C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H20N2O2S/c1-2-3-15-18(8-9-21-15)16(20)12-4-6-13-11(10-12)5-7-14(19)17-13/h4,6,10,15H,2-3,5,7-9H2,1H3,(H,17,19)
InChIKeyTYPZXYBCNXUWHV-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.89
Rot. Bonds3

About 6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one

6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 71875144) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID71875144
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC1SCCN1C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H20N2O2S/c1-2-3-15-18(8-9-21-15)16(20)12-4-6-13-11(10-12)5-7-14(19)17-13/h4,6,10,15H,2-3,5,7-9H2,1H3,(H,17,19)
InChIKeyTYPZXYBCNXUWHV-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one
CID 122140875
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
6-(2-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13369760
6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
6-(4-propylsulfonylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110804837
6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 102712814
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328
(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid
CID 125133531
4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813513
6-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 154738912
6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 82984767

Frequently Asked Questions

What is the IUPAC name of 6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 71875144) is 6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one is CCCC1SCCN1C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TYPZXYBCNXUWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-3-15-18(8-9-21-15)16(20)12-4-6-13-11(10-12)5-7-14(19)17-13/h4,6,10,15H,2-3,5,7-9H2,1H3,(H,17,19).
What are the key properties of 6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 304.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propyl-1,3-thiazolidine-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 71875144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).