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

C23H25N5O3 — CID 127030242

IUPAC4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one
SMILESO=C1COc2cc3ncnc(Nc4ccccc4)c3cc2N1CCCN1CCOCC1
InChIInChI=1S/C23H25N5O3/c29-22-15-31-21-14-19-18(23(25-16-24-19)26-17-5-2-1-3-6-17)13-20(21)28(22)8-4-7-27-9-11-30-12-10-27/h1-3,5-6,13-14,16H,4,7-12,15H2,(H,24,25,26)
InChIKeyRWTVBTMCWHUZPO-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.82
Rot. Bonds6

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

4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one (PubChem CID 127030242) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one.

Molecular Properties

Compound Name4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one
PubChem CID127030242
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one
SMILESO=C1COc2cc3ncnc(Nc4ccccc4)c3cc2N1CCCN1CCOCC1
InChIInChI=1S/C23H25N5O3/c29-22-15-31-21-14-19-18(23(25-16-24-19)26-17-5-2-1-3-6-17)13-20(21)28(22)8-4-7-27-9-11-30-12-10-27/h1-3,5-6,13-14,16H,4,7-12,15H2,(H,24,25,26)
InChIKeyRWTVBTMCWHUZPO-UHFFFAOYSA-N
XLogP2.82
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one?
The IUPAC name of 4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one (CID 127030242) is 4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one.
What is the SMILES notation for 4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one?
The canonical SMILES for 4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one is O=C1COc2cc3ncnc(Nc4ccccc4)c3cc2N1CCCN1CCOCC1.
What is the InChIKey of 4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one?
The InChIKey is RWTVBTMCWHUZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-22-15-31-21-14-19-18(23(25-16-24-19)26-17-5-2-1-3-6-17)13-20(21)28(22)8-4-7-27-9-11-30-12-10-27/h1-3,5-6,13-14,16H,4,7-12,15H2,(H,24,25,26).
What are the key properties of 4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one?
4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one has a molecular weight of 419.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(3-morpholin-4-ylpropyl)pyrimido[5,4-g][1,4]benzoxazin-7-one is sourced from PubChem (CID 127030242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).