4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one

C23H24FN5O3 — CID 127029901

IUPAC4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one
SMILESO=C1COc2cc3ncnc(Nc4ccc(F)cc4)c3cc2N1CCCN1CCOCC1
InChIInChI=1S/C23H24FN5O3/c24-16-2-4-17(5-3-16)27-23-18-12-20-21(13-19(18)25-15-26-23)32-14-22(30)29(20)7-1-6-28-8-10-31-11-9-28/h2-5,12-13,15H,1,6-11,14H2,(H,25,26,27)
InChIKeyYGIZUQMAEGKTKP-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.96
Rot. Bonds6

About 4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one

4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one (PubChem CID 127029901) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one.

Molecular Properties

Compound Name4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one
PubChem CID127029901
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one
SMILESO=C1COc2cc3ncnc(Nc4ccc(F)cc4)c3cc2N1CCCN1CCOCC1
InChIInChI=1S/C23H24FN5O3/c24-16-2-4-17(5-3-16)27-23-18-12-20-21(13-19(18)25-15-26-23)32-14-22(30)29(20)7-1-6-28-8-10-31-11-9-28/h2-5,12-13,15H,1,6-11,14H2,(H,25,26,27)
InChIKeyYGIZUQMAEGKTKP-UHFFFAOYSA-N
XLogP2.96
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one?
The IUPAC name of 4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one (CID 127029901) is 4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one.
What is the SMILES notation for 4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one?
The canonical SMILES for 4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one is O=C1COc2cc3ncnc(Nc4ccc(F)cc4)c3cc2N1CCCN1CCOCC1.
What is the InChIKey of 4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one?
The InChIKey is YGIZUQMAEGKTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c24-16-2-4-17(5-3-16)27-23-18-12-20-21(13-19(18)25-15-26-23)32-14-22(30)29(20)7-1-6-28-8-10-31-11-9-28/h2-5,12-13,15H,1,6-11,14H2,(H,25,26,27).
What are the key properties of 4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one?
4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one has a molecular weight of 437.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one is sourced from PubChem (CID 127029901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).