methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate

C23H19NO3S — CID 58542834

IUPACmethyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate
SMILESCOC(=O)c1ccc(CC(c2cccs2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C23H19NO3S/c1-27-23(26)17-8-6-15(7-9-17)14-19(20-5-3-13-28-20)18-11-10-16-4-2-12-24-21(16)22(18)25/h2-13,19,25H,14H2,1H3
InChIKeyZNWXGJRUDFJOET-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.16
Rot. Bonds5

About methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate

methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate (PubChem CID 58542834) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate
PubChem CID58542834
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Namemethyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate
SMILESCOC(=O)c1ccc(CC(c2cccs2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C23H19NO3S/c1-27-23(26)17-8-6-15(7-9-17)14-19(20-5-3-13-28-20)18-11-10-16-4-2-12-24-21(16)22(18)25/h2-13,19,25H,14H2,1H3
InChIKeyZNWXGJRUDFJOET-UHFFFAOYSA-N
XLogP5.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate with MolForge

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Related Compounds

2-ethoxyethyl 4-[[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate
CID 19233065
N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 1084516
7-[2-(4-ethoxyphenyl)-1-pyridin-2-ylethyl]quinolin-8-ol
CID 58542925
propan-2-yl 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzoate
CID 19233038
ethyl 4-[anilino-(8-hydroxyquinolin-7-yl)methyl]benzoate
CID 23851621
7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
CID 3129060
7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
CID 127049605
methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 6962939
7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 19232874
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
7-[(pyridin-1-ium-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 3625041
methyl 4-(7-bromoquinoline-8-carbonyl)benzoate
CID 175153769

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate?
The IUPAC name of methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate (CID 58542834) is methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate.
What is the SMILES notation for methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate?
The canonical SMILES for methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate is COC(=O)c1ccc(CC(c2cccs2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate?
The InChIKey is ZNWXGJRUDFJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c1-27-23(26)17-8-6-15(7-9-17)14-19(20-5-3-13-28-20)18-11-10-16-4-2-12-24-21(16)22(18)25/h2-13,19,25H,14H2,1H3.
What are the key properties of methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate?
methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate has a molecular weight of 389.48 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate is sourced from PubChem (CID 58542834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).