8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one

C20H19FN2O3 — CID 16757579

IUPAC8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one
SMILESCc1cc(F)ccc1Oc1cccc2c(=O)cc(N3CCOCC3)[nH]c12
InChIInChI=1S/C20H19FN2O3/c1-13-11-14(21)5-6-17(13)26-18-4-2-3-15-16(24)12-19(22-20(15)18)23-7-9-25-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,22,24)
InChIKeyFZTZVNFKDPBYKA-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.60
Rot. Bonds3

About 8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one

8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one (PubChem CID 16757579) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one
PubChem CID16757579
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one
SMILESCc1cc(F)ccc1Oc1cccc2c(=O)cc(N3CCOCC3)[nH]c12
InChIInChI=1S/C20H19FN2O3/c1-13-11-14(21)5-6-17(13)26-18-4-2-3-15-16(24)12-19(22-20(15)18)23-7-9-25-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,22,24)
InChIKeyFZTZVNFKDPBYKA-UHFFFAOYSA-N
XLogP3.60
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one?
The IUPAC name of 8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one (CID 16757579) is 8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one.
What is the SMILES notation for 8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one?
The canonical SMILES for 8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one is Cc1cc(F)ccc1Oc1cccc2c(=O)cc(N3CCOCC3)[nH]c12.
What is the InChIKey of 8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one?
The InChIKey is FZTZVNFKDPBYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-13-11-14(21)5-6-17(13)26-18-4-2-3-15-16(24)12-19(22-20(15)18)23-7-9-25-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,22,24).
What are the key properties of 8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one?
8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one has a molecular weight of 354.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenoxy)-2-morpholin-4-yl-1H-quinolin-4-one is sourced from PubChem (CID 16757579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).