4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine

C18H17N3O2S — CID 88977533

IUPAC4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine
SMILESO=Nc1c(C(c2cccs2)N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C18H17N3O2S/c22-20-17-14(6-5-13-3-1-7-19-16(13)17)18(15-4-2-12-24-15)21-8-10-23-11-9-21/h1-7,12,18H,8-11H2
InChIKeyOLWAFGQGVBNQHC-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.12
Rot. Bonds4

About 4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine

4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine (PubChem CID 88977533) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine
PubChem CID88977533
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine
SMILESO=Nc1c(C(c2cccs2)N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C18H17N3O2S/c22-20-17-14(6-5-13-3-1-7-19-16(13)17)18(15-4-2-12-24-15)21-8-10-23-11-9-21/h1-7,12,18H,8-11H2
InChIKeyOLWAFGQGVBNQHC-UHFFFAOYSA-N
XLogP4.12
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine?
The IUPAC name of 4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine (CID 88977533) is 4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine.
What is the SMILES notation for 4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine?
The canonical SMILES for 4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine is O=Nc1c(C(c2cccs2)N2CCOCC2)ccc2cccnc12.
What is the InChIKey of 4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine?
The InChIKey is OLWAFGQGVBNQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-20-17-14(6-5-13-3-1-7-19-16(13)17)18(15-4-2-12-24-15)21-8-10-23-11-9-21/h1-7,12,18H,8-11H2.
What are the key properties of 4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine?
4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine has a molecular weight of 339.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-nitrosoquinolin-7-yl)-thiophen-2-ylmethyl]morpholine is sourced from PubChem (CID 88977533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).