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

C19H19NO2S — CID 127049605

IUPAC7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2cccs2)C2CCOCC2)ccc2cccnc12
InChIInChI=1S/C19H19NO2S/c21-19-15(6-5-14-3-1-9-20-18(14)19)17(16-4-2-12-23-16)13-7-10-22-11-8-13/h1-6,9,12-13,17,21H,7-8,10-11H2
InChIKeyUDORMJKYUUEZNZ-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.56
Rot. Bonds3

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

7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol (PubChem CID 127049605) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
PubChem CID127049605
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2cccs2)C2CCOCC2)ccc2cccnc12
InChIInChI=1S/C19H19NO2S/c21-19-15(6-5-14-3-1-9-20-18(14)19)17(16-4-2-12-23-16)13-7-10-22-11-8-13/h1-6,9,12-13,17,21H,7-8,10-11H2
InChIKeyUDORMJKYUUEZNZ-UHFFFAOYSA-N
XLogP4.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
CID 3129060
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917
7-[(pyridin-1-ium-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 3625041
4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine
CID 88977533
7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232908
(S)-oxan-4-yl(thiophen-2-yl)methanol
CID 129368530
methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate
CID 58542834
7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 19232874
N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 1084516
7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol
CID 53484246
7-[amino(phenyl)methyl]quinolin-8-ol
CID 118080370
7-[(S)-furan-2-yl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 703337

Frequently Asked Questions

What is the IUPAC name of 7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol (CID 127049605) is 7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol is Oc1c(C(c2cccs2)C2CCOCC2)ccc2cccnc12.
What is the InChIKey of 7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
The InChIKey is UDORMJKYUUEZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c21-19-15(6-5-14-3-1-9-20-18(14)19)17(16-4-2-12-23-16)13-7-10-22-11-8-13/h1-6,9,12-13,17,21H,7-8,10-11H2.
What are the key properties of 7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol?
7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol has a molecular weight of 325.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 127049605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).