(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone

C14H18N2O2S — CID 110741432

IUPAC(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CSCN2)c2ccccc21
InChIInChI=1S/C14H18N2O2S/c1-14(18)6-7-16(12-5-3-2-4-10(12)14)13(17)11-8-19-9-15-11/h2-5,11,15,18H,6-9H2,1H3
InChIKeyCQDWEKZQTWBBMJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.29
Rot. Bonds1

About (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone

(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110741432) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
PubChem CID110741432
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CSCN2)c2ccccc21
InChIInChI=1S/C14H18N2O2S/c1-14(18)6-7-16(12-5-3-2-4-10(12)14)13(17)11-8-19-9-15-11/h2-5,11,15,18H,6-9H2,1H3
InChIKeyCQDWEKZQTWBBMJ-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

spiro[2H-indole-3,1'-cyclopropane]-1-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119328064
spiro[2H-indole-3,1'-cyclopentane]-1-yl(1,3-thiazolidin-4-yl)methanone
CID 110750187
(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone
CID 110709581
(2-bromophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
CID 110709585
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119312873
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119876978
1-[1-(1,3-thiazolidine-4-carbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 110746136
4-hydroxy-N,N,4-trimethyl-2,3-dihydroquinoline-1-sulfonamide
CID 110709650
(3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
CID 110709583
(3,3-dimethylpyrrolidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322655
5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119315086
1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 110709639

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone (CID 110741432) is (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone is CC1(O)CCN(C(=O)C2CSCN2)c2ccccc21.
What is the InChIKey of (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is CQDWEKZQTWBBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(18)6-7-16(12-5-3-2-4-10(12)14)13(17)11-8-19-9-15-11/h2-5,11,15,18H,6-9H2,1H3.
What are the key properties of (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 278.38 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110741432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).