7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol

C18H18N2O2S — CID 3129060

IUPAC7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2cccs2)N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C18H18N2O2S/c21-18-14(6-5-13-3-1-7-19-16(13)18)17(15-4-2-12-23-15)20-8-10-22-11-9-20/h1-7,12,17,21H,8-11H2
InChIKeyCLIPMRZXGYNMOU-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.42
Rot. Bonds3

About 7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol

7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol (PubChem CID 3129060) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
PubChem CID3129060
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2cccs2)N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C18H18N2O2S/c21-18-14(6-5-13-3-1-7-19-16(13)18)17(15-4-2-12-23-15)20-8-10-22-11-9-20/h1-7,12,17,21H,8-11H2
InChIKeyCLIPMRZXGYNMOU-UHFFFAOYSA-N
XLogP3.42
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine
CID 88977533
7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
CID 127049605
7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol
CID 53484246
7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol
CID 53484245
7-[(benzylamino)-phenylmethyl]quinolin-8-ol;7-[[benzyl(methyl)amino]-phenylmethyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-(4-methylphenyl)methyl]quinolin-8-ol;7-[(2,6-dimethylmorpholin-4-yl)-phenylmethyl]quinolin-8-ol;methane;7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
CID 158286963
7-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468
5-chloro-7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol;methane;7-[(4-methoxyphenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(4-methylanilino)-phenylmethyl]quinolin-8-ol;7-[(4-methylphenyl)-morpholin-4-ylmethyl]quinolin-8-ol;7-[(4-methylphenyl)-(pyridin-3-ylamino)methyl]quinolin-8-ol;7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 159417503
7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
CID 28721808
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917
7-[(pyridin-1-ium-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 3625041
4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine
CID 88977488
7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232908

Frequently Asked Questions

What is the IUPAC name of 7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol (CID 3129060) is 7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol is Oc1c(C(c2cccs2)N2CCOCC2)ccc2cccnc12.
What is the InChIKey of 7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The InChIKey is CLIPMRZXGYNMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-18-14(6-5-13-3-1-7-19-16(13)18)17(15-4-2-12-23-15)20-8-10-22-11-9-20/h1-7,12,17,21H,8-11H2.
What are the key properties of 7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol has a molecular weight of 326.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 3129060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).