(6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone

C21H19FN2O3 — CID 20882564

IUPAC(6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCOCC2)cc1
InChIInChI=1S/C21H19FN2O3/c1-26-16-5-2-14(3-6-16)21(25)18-13-23-19-7-4-15(22)12-17(19)20(18)24-8-10-27-11-9-24/h2-7,12-13H,8-11H2,1H3
InChIKeyARMNJTIPOBFNQT-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.45
Rot. Bonds4

About (6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone

(6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 20882564) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is (6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone
PubChem CID20882564
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name(6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCOCC2)cc1
InChIInChI=1S/C21H19FN2O3/c1-26-16-5-2-14(3-6-16)21(25)18-13-23-19-7-4-15(22)12-17(19)20(18)24-8-10-27-11-9-24/h2-7,12-13H,8-11H2,1H3
InChIKeyARMNJTIPOBFNQT-UHFFFAOYSA-N
XLogP3.45
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone (CID 20882564) is (6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCOCC2)cc1.
What is the InChIKey of (6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is ARMNJTIPOBFNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-26-16-5-2-14(3-6-16)21(25)18-13-23-19-7-4-15(22)12-17(19)20(18)24-8-10-27-11-9-24/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone?
(6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 366.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-morpholin-4-ylquinolin-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 20882564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).