4-(2-ethylquinolin-4-yl)thiomorpholine

C15H18N2S — CID 133400472

IUPAC4-(2-ethylquinolin-4-yl)thiomorpholine
SMILESCCc1cc(N2CCSCC2)c2ccccc2n1
InChIInChI=1S/C15H18N2S/c1-2-12-11-15(17-7-9-18-10-8-17)13-5-3-4-6-14(13)16-12/h3-6,11H,2,7-10H2,1H3
InChIKeyBERPHNFONYXFHI-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.35
Rot. Bonds2

About 4-(2-ethylquinolin-4-yl)thiomorpholine

4-(2-ethylquinolin-4-yl)thiomorpholine (PubChem CID 133400472) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-(2-ethylquinolin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2-ethylquinolin-4-yl)thiomorpholine
PubChem CID133400472
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name4-(2-ethylquinolin-4-yl)thiomorpholine
SMILESCCc1cc(N2CCSCC2)c2ccccc2n1
InChIInChI=1S/C15H18N2S/c1-2-12-11-15(17-7-9-18-10-8-17)13-5-3-4-6-14(13)16-12/h3-6,11H,2,7-10H2,1H3
InChIKeyBERPHNFONYXFHI-UHFFFAOYSA-N
XLogP3.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-thiomorpholin-4-ylquinolin-2-yl)methanamine
CID 63373907
N-[(4-thiomorpholin-4-ylquinolin-2-yl)methyl]cyclopropanamine
CID 63373997
2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline
CID 133402710
2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133400414
4-(1,4-thiazepan-4-yl)quinoline-2-carboxylic acid
CID 63374218
1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63374160
[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374155
2-propyl-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)quinoline
CID 133401235
1-[4-(4-ethylpiperazin-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63374122
2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
CID 133401512
tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate
CID 133400609
N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 133402615

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylquinolin-4-yl)thiomorpholine?
The IUPAC name of 4-(2-ethylquinolin-4-yl)thiomorpholine (CID 133400472) is 4-(2-ethylquinolin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(2-ethylquinolin-4-yl)thiomorpholine?
The canonical SMILES for 4-(2-ethylquinolin-4-yl)thiomorpholine is CCc1cc(N2CCSCC2)c2ccccc2n1.
What is the InChIKey of 4-(2-ethylquinolin-4-yl)thiomorpholine?
The InChIKey is BERPHNFONYXFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-12-11-15(17-7-9-18-10-8-17)13-5-3-4-6-14(13)16-12/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 4-(2-ethylquinolin-4-yl)thiomorpholine?
4-(2-ethylquinolin-4-yl)thiomorpholine has a molecular weight of 258.39 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylquinolin-4-yl)thiomorpholine is sourced from PubChem (CID 133400472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).