6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one

C15H15FN2O3 — CID 30133338

IUPAC6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
SMILESCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C15H15FN2O3/c1-17-9-12(15(20)18-4-6-21-7-5-18)14(19)11-8-10(16)2-3-13(11)17/h2-3,8-9H,4-7H2,1H3
InChIKeyLEGLIXIJCPVFRG-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.15
Rot. Bonds1

About 6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one

6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one (PubChem CID 30133338) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
PubChem CID30133338
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
SMILESCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C15H15FN2O3/c1-17-9-12(15(20)18-4-6-21-7-5-18)14(19)11-8-10(16)2-3-13(11)17/h2-3,8-9H,4-7H2,1H3
InChIKeyLEGLIXIJCPVFRG-UHFFFAOYSA-N
XLogP1.15
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one?
The IUPAC name of 6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one (CID 30133338) is 6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one.
What is the SMILES notation for 6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one?
The canonical SMILES for 6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one is Cn1cc(C(=O)N2CCOCC2)c(=O)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one?
The InChIKey is LEGLIXIJCPVFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-17-9-12(15(20)18-4-6-21-7-5-18)14(19)11-8-10(16)2-3-13(11)17/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one?
6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one has a molecular weight of 290.29 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one is sourced from PubChem (CID 30133338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).