4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid

C15H13FN2O4 — CID 120526082

IUPAC4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(F)cc3cccnc23)CCO1
InChIInChI=1S/C15H13FN2O4/c16-10-6-9-2-1-3-17-13(9)11(7-10)14(19)18-4-5-22-12(8-18)15(20)21/h1-3,6-7,12H,4-5,8H2,(H,20,21)
InChIKeyNCXHJOZPBSWRNK-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.30
Rot. Bonds2

About 4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid

4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid (PubChem CID 120526082) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid
PubChem CID120526082
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(F)cc3cccnc23)CCO1
InChIInChI=1S/C15H13FN2O4/c16-10-6-9-2-1-3-17-13(9)11(7-10)14(19)18-4-5-22-12(8-18)15(20)21/h1-3,6-7,12H,4-5,8H2,(H,20,21)
InChIKeyNCXHJOZPBSWRNK-UHFFFAOYSA-N
XLogP1.30
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-fluoroquinolin-8-yl)-(3-methylazetidin-1-yl)methanone
CID 166218123
4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide
CID 49417398
(2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 125153617
(3S,4S)-1-(6-fluoroquinoline-8-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 167880274
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610671
(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97252606
(2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 124610758
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81211794
(2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 125118691
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid (CID 120526082) is 4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2cc(F)cc3cccnc23)CCO1.
What is the InChIKey of 4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is NCXHJOZPBSWRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-10-6-9-2-1-3-17-13(9)11(7-10)14(19)18-4-5-22-12(8-18)15(20)21/h1-3,6-7,12H,4-5,8H2,(H,20,21).
What are the key properties of 4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid?
4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 304.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 120526082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).