(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone

C14H12ClFN2O2 — CID 83290736

IUPAC(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1Cl)N1CCOCC1
InChIInChI=1S/C14H12ClFN2O2/c15-13-10-7-9(16)1-2-12(10)17-8-11(13)14(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
InChIKeyRRYRTUPQXONRHY-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.50
Rot. Bonds1

About (4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone

(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone (PubChem CID 83290736) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is (4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
PubChem CID83290736
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1Cl)N1CCOCC1
InChIInChI=1S/C14H12ClFN2O2/c15-13-10-7-9(16)1-2-12(10)17-8-11(13)14(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
InChIKeyRRYRTUPQXONRHY-UHFFFAOYSA-N
XLogP2.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001687
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 142581622
[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001536
[4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333912
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
(6-fluoro-2-thiophen-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
CID 1166469
[4-(4-bromophenyl)sulfonyl-6-chloroquinolin-3-yl]-morpholin-4-ylmethanone
CID 71686404
6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
CID 30133338
[4-(1,3-benzodioxol-5-ylmethylamino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
CID 53333981
[6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001564
[1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 51054141
4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate
CID 73012700

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone (CID 83290736) is (4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone is O=C(c1cnc2ccc(F)cc2c1Cl)N1CCOCC1.
What is the InChIKey of (4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is RRYRTUPQXONRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-13-10-7-9(16)1-2-12(10)17-8-11(13)14(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2.
What are the key properties of (4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone?
(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 294.71 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 83290736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).