2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one

C22H19N3O4 — CID 53358085

IUPAC2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one
SMILESO=c1nc(N2CCOCC2)oc2cc3c(OCc4cccnc4)cccc3cc12
InChIInChI=1S/C22H19N3O4/c26-21-18-11-16-4-1-5-19(28-14-15-3-2-6-23-13-15)17(16)12-20(18)29-22(24-21)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2
InChIKeyVUPOSOFDZXONOZ-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.15
Rot. Bonds4

About 2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one

2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one (PubChem CID 53358085) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one
PubChem CID53358085
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one
SMILESO=c1nc(N2CCOCC2)oc2cc3c(OCc4cccnc4)cccc3cc12
InChIInChI=1S/C22H19N3O4/c26-21-18-11-16-4-1-5-19(28-14-15-3-2-6-23-13-15)17(16)12-20(18)29-22(24-21)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2
InChIKeyVUPOSOFDZXONOZ-UHFFFAOYSA-N
XLogP3.15
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-methyl-2-morpholin-4-yl-7-(pyridin-3-ylmethoxy)chromen-4-one
CID 15650862
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one
CID 16735942
(6S)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6-(quinolin-3-ylmethyl)-1,4-oxazepane
CID 124968385
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
3-(isoquinolin-5-yloxymethyl)benzoic acid
CID 12902801
methyl 2-[4-chloro-2-morpholin-4-yl-6-(pyridin-3-ylmethoxy)pyrimidin-5-yl]oxyacetate
CID 176737507
2-morpholin-4-yl-9-(pyridin-4-ylmethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 23586755
1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-1,4-diazepan-5-one
CID 75439270
1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 25263310
6-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 43724741
1-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]ethanone
CID 59614449

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one?
The IUPAC name of 2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one (CID 53358085) is 2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one.
What is the SMILES notation for 2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one?
The canonical SMILES for 2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one is O=c1nc(N2CCOCC2)oc2cc3c(OCc4cccnc4)cccc3cc12.
What is the InChIKey of 2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one?
The InChIKey is VUPOSOFDZXONOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-21-18-11-16-4-1-5-19(28-14-15-3-2-6-23-13-15)17(16)12-20(18)29-22(24-21)25-7-9-27-10-8-25/h1-6,11-13H,7-10,14H2.
What are the key properties of 2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one?
2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one has a molecular weight of 389.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-9-(pyridin-3-ylmethoxy)benzo[g][1,3]benzoxazin-4-one is sourced from PubChem (CID 53358085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).