N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide

C19H19N3O4 — CID 162787858

IUPACN-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide
SMILESNc1ccc2oc3cc(NC(=O)CN4CCOCC4)ccc3c(=O)c2c1
InChIInChI=1S/C19H19N3O4/c20-12-1-4-16-15(9-12)19(24)14-3-2-13(10-17(14)26-16)21-18(23)11-22-5-7-25-8-6-22/h1-4,9-10H,5-8,11,20H2,(H,21,23)
InChIKeyNOQNUOOKQAXRGK-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.80
Rot. Bonds3

About N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide

N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide (PubChem CID 162787858) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide
PubChem CID162787858
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide
SMILESNc1ccc2oc3cc(NC(=O)CN4CCOCC4)ccc3c(=O)c2c1
InChIInChI=1S/C19H19N3O4/c20-12-1-4-16-15(9-12)19(24)14-3-2-13(10-17(14)26-16)21-18(23)11-22-5-7-25-8-6-22/h1-4,9-10H,5-8,11,20H2,(H,21,23)
InChIKeyNOQNUOOKQAXRGK-UHFFFAOYSA-N
XLogP1.80
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(7-amino-9-oxoxanthen-3-yl)-2-pyrrolidin-1-ylacetamide
CID 162787837
N-(7-amino-9-oxoxanthen-3-yl)-2-piperidin-1-ylacetamide
CID 162787856
2-(4-methylpiperazin-1-yl)-N-(7-nitro-9-oxoxanthen-3-yl)acetamide
CID 162787910
N-[3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]-2-morpholin-4-ylacetamide
CID 57070326
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
N-[4-[(7-methoxy-2-oxochromen-4-yl)amino]phenyl]-2-morpholin-4-ylacetamide
CID 155546029
3-(3-morpholin-4-ylpropylamino)xanthen-9-one
CID 24792642

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide (CID 162787858) is N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide is Nc1ccc2oc3cc(NC(=O)CN4CCOCC4)ccc3c(=O)c2c1.
What is the InChIKey of N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide?
The InChIKey is NOQNUOOKQAXRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c20-12-1-4-16-15(9-12)19(24)14-3-2-13(10-17(14)26-16)21-18(23)11-22-5-7-25-8-6-22/h1-4,9-10H,5-8,11,20H2,(H,21,23).
What are the key properties of N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide?
N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide has a molecular weight of 353.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-9-oxoxanthen-3-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 162787858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).