(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone

C13H15ClN2OS — CID 110742338

IUPAC(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2OS/c14-10-3-4-12-9(6-10)2-1-5-16(12)13(17)11-7-18-8-15-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyBXMICUUWYXBBFP-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.28
Rot. Bonds1

About (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone

(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110742338) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
PubChem CID110742338
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2OS/c14-10-3-4-12-9(6-10)2-1-5-16(12)13(17)11-7-18-8-15-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyBXMICUUWYXBBFP-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
CID 110742319
1-[1-(1,3-thiazolidine-4-carbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 110746136
5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110742298
1-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157415
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methanone
CID 90350176
N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
CID 110812149
(4-chlorophenyl)-[1-(1,3-thiazolidine-4-carbonyl)piperidin-4-yl]methanone
CID 119289949
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 90349853
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone (CID 110742338) is (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone is O=C(C1CSCN1)N1CCCc2cc(Cl)ccc21.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is BXMICUUWYXBBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c14-10-3-4-12-9(6-10)2-1-5-16(12)13(17)11-7-18-8-15-11/h3-4,6,11,15H,1-2,5,7-8H2.
What are the key properties of (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 282.80 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110742338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).