4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine

C15H14N4O2 — CID 900081

IUPAC4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine
SMILESC1=Nc2c(ncnc2N2CCOCC2)Oc2ccccc21
InChIInChI=1S/C15H14N4O2/c1-2-4-12-11(3-1)9-16-13-14(17-10-18-15(13)21-12)19-5-7-20-8-6-19/h1-4,9-10H,5-8H2
InChIKeyRIUNOCMITYEJOJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.17
Rot. Bonds1

About 4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine

4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine (PubChem CID 900081) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine.

Molecular Properties

Compound Name4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine
PubChem CID900081
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine
SMILESC1=Nc2c(ncnc2N2CCOCC2)Oc2ccccc21
InChIInChI=1S/C15H14N4O2/c1-2-4-12-11(3-1)9-16-13-14(17-10-18-15(13)21-12)19-5-7-20-8-6-19/h1-4,9-10H,5-8H2
InChIKeyRIUNOCMITYEJOJ-UHFFFAOYSA-N
XLogP2.17
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenylpyrimido[4,5-b][1,4]benzoxazepin-4-amine
CID 658412
8-Bromo-4-morpholinobenzo[f]pyrimido[4,5-b][1,4]oxazepine
CID 658391
N-benzylpyrimido[4,5-b][1,4]benzoxazepin-4-amine
CID 659753
2,5,6-Triamino-4-Benzyloxypyrimidine
CID 9816044
6-(4-Methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909815
8-Chloro-4-piperidin-1-ylpyrimido[4,5-b][1,4]benzoxazepine
CID 659539
8-Chloro-4-(4-morpholinyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine
CID 660753
6-(2-Methylphenoxy)-5-nitropyrimidin-4-amine
CID 4131957
4-(benzyloxy)-2-(dimethylamino)-7(8H)-pteridinone
CID 5409421
8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine
CID 658248
8-Bromo-4-piperidin-1-ylpyrimido[4,5-b][1,4]benzoxazepine
CID 658364
8-Bromo-4-(4-morpholinyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine
CID 660973

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine?
The IUPAC name of 4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine (CID 900081) is 4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine.
What is the SMILES notation for 4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine?
The canonical SMILES for 4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine is C1=Nc2c(ncnc2N2CCOCC2)Oc2ccccc21.
What is the InChIKey of 4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine?
The InChIKey is RIUNOCMITYEJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-4-12-11(3-1)9-16-13-14(17-10-18-15(13)21-12)19-5-7-20-8-6-19/h1-4,9-10H,5-8H2.
What are the key properties of 4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine?
4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine has a molecular weight of 282.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine is sourced from PubChem (CID 900081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).