3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone

C19H23N3OS — CID 110387133

IUPAC3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(CN2CCCC2)sc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H23N3OS/c1-14-18(24-17(20-14)13-21-10-4-5-11-21)19(23)22-12-6-8-15-7-2-3-9-16(15)22/h2-3,7,9H,4-6,8,10-13H2,1H3
InChIKeyYVMBZBTURQWUMA-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.64
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 110387133) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
PubChem CID110387133
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(CN2CCCC2)sc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H23N3OS/c1-14-18(24-17(20-14)13-21-10-4-5-11-21)19(23)22-12-6-8-15-7-2-3-9-16(15)22/h2-3,7,9H,4-6,8,10-13H2,1H3
InChIKeyYVMBZBTURQWUMA-UHFFFAOYSA-N
XLogP3.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160879
2-(2,3-dihydroindol-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82124117
[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 167990660
(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 32739124
[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110387114
1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
CID 16897319
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80619414
N-(4-ethylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387139
3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 43582708
3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 110682720
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160777
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone (CID 110387133) is 3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone is Cc1nc(CN2CCCC2)sc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is YVMBZBTURQWUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-18(24-17(20-14)13-21-10-4-5-11-21)19(23)22-12-6-8-15-7-2-3-9-16(15)22/h2-3,7,9H,4-6,8,10-13H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 341.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 110387133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).