N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide

C16H15ClN2O4 — CID 5198828

IUPACN-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)C(Cl)=C(N1CCOCC1)C2=O
InChIInChI=1S/C16H15ClN2O4/c1-9(20)18-11-4-2-3-10-12(11)16(22)13(17)14(15(10)21)19-5-7-23-8-6-19/h2-4H,5-8H2,1H3,(H,18,20)
InChIKeyXXDJAJAHNFDCNO-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.81
Rot. Bonds2

About N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide

N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide (PubChem CID 5198828) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide
PubChem CID5198828
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)C(Cl)=C(N1CCOCC1)C2=O
InChIInChI=1S/C16H15ClN2O4/c1-9(20)18-11-4-2-3-10-12(11)16(22)13(17)14(15(10)21)19-5-7-23-8-6-19/h2-4H,5-8H2,1H3,(H,18,20)
InChIKeyXXDJAJAHNFDCNO-UHFFFAOYSA-N
XLogP1.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
CID 10815829
N-[3-(3-chloro-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl)phenyl]acetamide
CID 123022695
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
CID 2903171
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
CID 143956506
2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione
CID 781111
2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 14692055
3-(4-methylmorpholin-4-ium-4-yl)-N-[5-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
CID 10747944
2-chloro-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 11144324
2-(4-chlorophenyl)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 18871168
N-[2-[5-(4-acetamido-1,3-dioxoinden-2-ylidene)pent-3-enylidene]-1,3-dioxoinden-4-yl]acetamide
CID 91261906

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide?
The IUPAC name of N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide (CID 5198828) is N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide?
The canonical SMILES for N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide is CC(=O)Nc1cccc2c1C(=O)C(Cl)=C(N1CCOCC1)C2=O.
What is the InChIKey of N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide?
The InChIKey is XXDJAJAHNFDCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-9(20)18-11-4-2-3-10-12(11)16(22)13(17)14(15(10)21)19-5-7-23-8-6-19/h2-4H,5-8H2,1H3,(H,18,20).
What are the key properties of N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide?
N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide has a molecular weight of 334.76 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-6-morpholin-4-yl-5,8-dioxonaphthalen-1-yl)acetamide is sourced from PubChem (CID 5198828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).