4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride

C18H25ClN2O3S — CID 171668654

IUPAC4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride
SMILESCOc1cc2cc(C)c(SCCN3CCOCC3)nc2cc1OC.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-13-10-14-11-16(21-2)17(22-3)12-15(14)19-18(13)24-9-6-20-4-7-23-8-5-20;/h10-12H,4-9H2,1-3H3;1H
InChIKeyBGBABVKWTWTPHB-UHFFFAOYSA-N
MW384.93 g/mol
LogP3.41
Rot. Bonds6

About 4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride

4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride (PubChem CID 171668654) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride
PubChem CID171668654
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride
SMILESCOc1cc2cc(C)c(SCCN3CCOCC3)nc2cc1OC.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-13-10-14-11-16(21-2)17(22-3)12-15(14)19-18(13)24-9-6-20-4-7-23-8-5-20;/h10-12H,4-9H2,1-3H3;1H
InChIKeyBGBABVKWTWTPHB-UHFFFAOYSA-N
XLogP3.41
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride
CID 118741857
7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile
CID 855533
2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 859832
4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 141264542
4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine
CID 170870605
2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
CID 864592
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
N-benzyl-2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1171908
6-(4-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3133383
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1171902
2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
CID 79148751

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride (CID 171668654) is 4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride is COc1cc2cc(C)c(SCCN3CCOCC3)nc2cc1OC.Cl.
What is the InChIKey of 4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride?
The InChIKey is BGBABVKWTWTPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S.ClH/c1-13-10-14-11-16(21-2)17(22-3)12-15(14)19-18(13)24-9-6-20-4-7-23-8-5-20;/h10-12H,4-9H2,1-3H3;1H.
What are the key properties of 4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride?
4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride has a molecular weight of 384.93 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride is sourced from PubChem (CID 171668654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).