morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone

C18H16N2O2S — CID 611025

IUPACmorpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C18H16N2O2S/c21-18(20-7-9-22-10-8-20)14-12-16(17-6-3-11-23-17)19-15-5-2-1-4-13(14)15/h1-6,11-12H,7-10H2
InChIKeyFLQXHWBBXYIRBY-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.44
Rot. Bonds2

About morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone

morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone (PubChem CID 611025) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
PubChem CID611025
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Namemorpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C18H16N2O2S/c21-18(20-7-9-22-10-8-20)14-12-16(17-6-3-11-23-17)19-15-5-2-1-4-13(14)15/h1-6,11-12H,7-10H2
InChIKeyFLQXHWBBXYIRBY-UHFFFAOYSA-N
XLogP3.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone?
The IUPAC name of morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone (CID 611025) is morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone?
The canonical SMILES for morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone is O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone?
The InChIKey is FLQXHWBBXYIRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-18(20-7-9-22-10-8-20)14-12-16(17-6-3-11-23-17)19-15-5-2-1-4-13(14)15/h1-6,11-12H,7-10H2.
What are the key properties of morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone?
morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone has a molecular weight of 324.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(2-thiophen-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 611025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).