[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone

C25H24FN3O4 — CID 144727491

IUPAC[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone
SMILESCc1noc(C)c1-c1ccc2c(c1)C=C(c1cc(C(=O)N3CCOCC3)ccc1F)C(O)N2
InChIInChI=1S/C25H24FN3O4/c1-14-23(15(2)33-28-14)16-4-6-22-18(11-16)13-20(24(30)27-22)19-12-17(3-5-21(19)26)25(31)29-7-9-32-10-8-29/h3-6,11-13,24,27,30H,7-10H2,1-2H3
InChIKeyAXPMAUAIKZHWAS-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.85
Rot. Bonds3

About [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone

[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone (PubChem CID 144727491) has the molecular formula C25H24FN3O4 and a molecular weight of 449.48 g/mol. Its IUPAC name is [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone
PubChem CID144727491
Molecular FormulaC25H24FN3O4
Molecular Weight449.48 g/mol
Exact Mass449.18
IUPAC Name[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone
SMILESCc1noc(C)c1-c1ccc2c(c1)C=C(c1cc(C(=O)N3CCOCC3)ccc1F)C(O)N2
InChIInChI=1S/C25H24FN3O4/c1-14-23(15(2)33-28-14)16-4-6-22-18(11-16)13-20(24(30)27-22)19-12-17(3-5-21(19)26)25(31)29-7-9-32-10-8-29/h3-6,11-13,24,27,30H,7-10H2,1-2H3
InChIKeyAXPMAUAIKZHWAS-UHFFFAOYSA-N
XLogP3.85
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone (CID 144727491) is [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone is Cc1noc(C)c1-c1ccc2c(c1)C=C(c1cc(C(=O)N3CCOCC3)ccc1F)C(O)N2.
What is the InChIKey of [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone?
The InChIKey is AXPMAUAIKZHWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4/c1-14-23(15(2)33-28-14)16-4-6-22-18(11-16)13-20(24(30)27-22)19-12-17(3-5-21(19)26)25(31)29-7-9-32-10-8-29/h3-6,11-13,24,27,30H,7-10H2,1-2H3.
What are the key properties of [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone?
[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone has a molecular weight of 449.48 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxy-1,2-dihydroquinolin-3-yl]-4-fluorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 144727491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).