9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide

C29H16N2O5 — CID 143844115

IUPAC9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2c(=O)o1)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C29H16N2O5/c32-25-17-7-1-2-8-18(17)26(33)22-15-16(13-14-19(22)25)27(34)30-23-11-5-3-9-20(23)28-31-24-12-6-4-10-21(24)29(35)36-28/h1-15H,(H,30,34)
InChIKeyWPDWEJBKMFPMNF-UHFFFAOYSA-N
MW472.46 g/mol
LogP4.88
Rot. Bonds3

About 9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide

9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide (PubChem CID 143844115) has the molecular formula C29H16N2O5 and a molecular weight of 472.46 g/mol. Its IUPAC name is 9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide.

Molecular Properties

Compound Name9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide
PubChem CID143844115
Molecular FormulaC29H16N2O5
Molecular Weight472.46 g/mol
Exact Mass472.11
IUPAC Name9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2c(=O)o1)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C29H16N2O5/c32-25-17-7-1-2-8-18(17)26(33)22-15-16(13-14-19(22)25)27(34)30-23-11-5-3-9-20(23)28-31-24-12-6-4-10-21(24)29(35)36-28/h1-15H,(H,30,34)
InChIKeyWPDWEJBKMFPMNF-UHFFFAOYSA-N
XLogP4.88
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide
CID 143844150
N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide
CID 143844182
2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 825300
N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
CID 102214638
N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pyrazine-2-carboxamide
CID 143844190
2-methoxy-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 143844116
[3-[[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]carbamoyl]naphthalen-2-yl] acetate
CID 143844163
N-[2-(1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 23879270
1-(3-chlorophenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616063
1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616068
N-(2-fluorophenyl)-9-oxofluorene-2-carboxamide
CID 42064694
1-(4-ethoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616073

Frequently Asked Questions

What is the IUPAC name of 9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide?
The IUPAC name of 9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide (CID 143844115) is 9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide.
What is the SMILES notation for 9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide?
The canonical SMILES for 9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide is O=C(Nc1ccccc1-c1nc2ccccc2c(=O)o1)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide?
The InChIKey is WPDWEJBKMFPMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16N2O5/c32-25-17-7-1-2-8-18(17)26(33)22-15-16(13-14-19(22)25)27(34)30-23-11-5-3-9-20(23)28-31-24-12-6-4-10-21(24)29(35)36-28/h1-15H,(H,30,34).
What are the key properties of 9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide?
9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide has a molecular weight of 472.46 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide is sourced from PubChem (CID 143844115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).