N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide

C22H23FN4O3 — CID 55799891

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC1CN(c2ccc(NC(=O)Cn3ncc(=O)c4ccccc43)cc2F)CC(C)O1
InChIInChI=1S/C22H23FN4O3/c1-14-11-26(12-15(2)30-14)20-8-7-16(9-18(20)23)25-22(29)13-27-19-6-4-3-5-17(19)21(28)10-24-27/h3-10,14-15H,11-13H2,1-2H3,(H,25,29)
InChIKeyYKJDISHORJJPOB-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.79
Rot. Bonds4

About N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 55799891) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID55799891
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC1CN(c2ccc(NC(=O)Cn3ncc(=O)c4ccccc43)cc2F)CC(C)O1
InChIInChI=1S/C22H23FN4O3/c1-14-11-26(12-15(2)30-14)20-8-7-16(9-18(20)23)25-22(29)13-27-19-6-4-3-5-17(19)21(28)10-24-27/h3-10,14-15H,11-13H2,1-2H3,(H,25,29)
InChIKeyYKJDISHORJJPOB-UHFFFAOYSA-N
XLogP2.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 55799891) is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide is CC1CN(c2ccc(NC(=O)Cn3ncc(=O)c4ccccc43)cc2F)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is YKJDISHORJJPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-11-26(12-15(2)30-14)20-8-7-16(9-18(20)23)25-22(29)13-27-19-6-4-3-5-17(19)21(28)10-24-27/h3-10,14-15H,11-13H2,1-2H3,(H,25,29).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 410.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 55799891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).